IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=[Cr](=O)([O-])[O-].[Ba+2]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Barium chromate is a yellow sand like powder with the formula BaCrO4, and a chemical compound of barium and hexavalent chromium. The compound is a known oxidizing agent and produces a green flame when heated, a result of the barium ions. It is used in pyrotechnic compositions, pigments, safety matches, metal primers, ignition control devices, explosive initiators, and as a corrosion inhibitor. Barium is a metallic alkaline earth metal with the symbol Ba, and atomic number 56. It never occurs in nature in its pure form due to its reactivity with air, but combines with other chemicals such as sulfur or carbon and oxygen to form barium compounds that may be found as minerals. Hexavalent chromium refers to chemical compounds that contain the element chromium in the +6 oxidation state. Chromium(VI) is more toxic than other oxidation states of the chromium atom because of its greater ability to enter cells and higher redox potential. (L16, L19, L214, L215)
Molecule SMILES: CC(=O)OCC1OC(OC2OC=C(C(=O)O)C3CC(O)C(C)C23)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: 6'-O-Acetylloganic acid is a natural product found in Strychnos nux-vomica with data available.
Molecule SMILES: O=S(=O)(O)OC=Cc1ccc(O)c(O)c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: [(Z)-2-(3,4-dihydroxyphenyl)ethenyl] hydrogen sulfate is a natural product found in Jaspis with data available.
Molecule SMILES: CC(=O)OC1CC2C3(C)CCC4C(C)(C)CCCC4(C)C3CC(O)C2(C)c2occc21

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: [(4R,5aS,5bR,7aS,11aS,11bR,13R,13aR)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[1,2-g][1]benzofuran-4-yl] acetate is a natural product found in Spongia agaricina with data available.
Molecule SMILES: CCCCCCCCCCC=CCCC(O)C1CCC(C(O)CCCCCCCCCCCCC2=CC(C)OC2=O)O1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (2R)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one is a natural product found in Annona squamosa with data available.
Molecule SMILES: COc1ccc(C(=O)CCC(OC2OC(CO)C(O)C(O)C2O)C(OC)c2ccc(OC)c(OC)c2)cc1OC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Penta-O-methylcurculigine is a natural product found in Molineria capitulata with data available.
Molecule SMILES: CC(C(=O)O)=C(Cl)C=C(Cl)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: 3,5-Dichloro-2-methylmuconate is a halo fatty acid.
Molecule SMILES: COC1=C(OC)C(=O)C2C3Cc4cc(OC)c(OC)cc4C2(CCN3C)C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: 4,5,12,13-Tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,12-tetraen-11-one is a natural product found in Stephania epigaea, Stephania yunnanensis, and other organisms with data available.
Molecule SMILES: NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Paromomycin Sulfate is the sulfate salt form of paromomycin, a structural derivative of neomycin, an aminoglycoside antibiotic with amebicidal and bactericidal effects against predominantly aerobic gram-negative bacteria. Paromomycin binds specifically to the RNA oligonucleotide at the A site of bacterial 30S ribosomes, thereby causing misreading and premature termination of translation of mRNA and inhibition of protein synthesis followed by cell death.
Molecule SMILES: NC(CCC(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Gamma-Glu-Tyr is a dipeptide composed of L-glutamic acid and L-tyrosine joined by a peptide linkage. It has a role as a human metabolite. It is a dipeptide, a secondary carboxamide, a dicarboxylic acid, a primary amino compound and a member of phenols. It is functionally related to a L-glutamic acid and a L-tyrosine. It is a conjugate acid of a gamma-Glu-Tyr(1-).
Molecule SMILES: NC(CCC(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: gamma-Glutamyltyrosine is a natural product found in Psophocarpus tetragonolobus and Saccharomyces cerevisiae with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCC(OC(C)=O)C(=O)NC(COC(C)=O)C(OC(C)=O)C(CCCCCCCCCCCCCC)OC(C)=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: [(2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxyoctadecanoyl]amino]octadecyl] acetate is a natural product found in Sinularia leptoclados with data available.
Molecule SMILES: NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(Cc1ccccc1)C3

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 3-cyclohexyl-2-hydrazinyl-7-(phenylmethyl)-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one is an organosulfur heterocyclic compound, an organic heterobicyclic compound and an organonitrogen heterocyclic compound.
Molecule SMILES: COC(=O)CC(O)(Cc1ccccc1)C(=O)OCC1CCN2CCCC12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Phalaenopsine T is a member of pyrrolizines.
Molecule SMILES: COC(=O)CC(O)(Cc1ccccc1)C(=O)OCC1CCN2CCCC12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Phalaenopsine T is a natural product found in Phalaenopsis with data available.
Molecule SMILES: CC1C(=O)CC23COC(=O)C2=CCCC3C1(C)CC(OC1OC(CO)C(O)C(O)C1O)c1ccoc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: (6aR,7R,8S,10aS)-7-[(2R)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-7,8-dimethyl-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione is a natural product found in Aster verticillatus with data available.
Molecule SMILES: C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC(O)C4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Acankoreoside C is a natural product found in Eleutherococcus gracilistylus, Eleutherococcus nodiflorus, and other organisms with data available.
Molecule SMILES: COC(=O)C1CC23C4C5CCC2(CO)C(CCC2CCC1C23O)CN4CC5C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Daphnioldhanin A is a natural product found in Daphniphyllum oldhamii and Daphniphyllum pentandrum with data available.
Molecule SMILES: O=C1CCC2(O)CCOC2C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: (3aS,7aS)-3a-hydroxy-2,3,4,5,7,7a-hexahydro-1-benzofuran-6-one is a natural product found in Clerodendrum bungei and Clerodendrum indicum with data available.
Molecule SMILES: CC1CC2OC(=O)C3(O)C=CCC(C1(C)CCc1ccoc1)C23C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 9-[2-(Furan-3-yl)ethyl]-4-hydroxy-9,10,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-5-en-3-one is a natural product found in Lagerstroemia speciosa with data available.
Molecule SMILES: COc1c(O)c(O)c2oc(=O)ccc2c1CC=C(C)CO

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 7,8-Dihydroxy-5-(4-hydroxy-3-methylbut-2-enyl)-6-methoxychromen-2-one is a natural product found in Haplophyllum obtusifolium with data available.
Molecule SMILES: CCC1CC2CC3C=CC=CC(=O)NCCCC4NC(=O)C(=C(O)C=CC=CCC3C2C1C)C4=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: Combamide D is a natural product found in Streptomyces with data available.
Molecule SMILES: CC(=O)OC(CC1CC(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: [(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aS,10aR)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl] acetate is a natural product found in Hovenia dulcis with data available.
Molecule SMILES: COc1cc(C=CC=O)cc(OC)c1OC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: 3-(3,4,5-Trimethoxyphenyl)-2-propenal is a natural product found in Stereospermum colais, Stereospermum tetragonum, and other organisms with data available.
Molecule SMILES: CC(CC(=O)C(O)C(C)(C)O)C1C(=O)CC2(C)C3=CCC4C(O)(CCC(OC5OCC(O)C(O)C5O)C4(C)C)CC3=CCC12C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (3R,6S,8S,12R,15R,16R)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-3-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadeca-1(18),10-dien-14-one is a natural product found in Actaea elata, Actaea europaea, and Actaea cimicifuga with data available.
Molecule SMILES: CC1(C)C(=O)CCC2(C)C1CCC13CC(CCC21)C1(C)OC31

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (ent-15beta,16beta)-15,16-Epoxy-3-kauranone is a kaurane diterpenoid.
Molecule SMILES: CC1(C)C(=O)CCC2(C)C1CCC13CC(CCC21)C1(C)OC31

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (ent-15beta,16beta)-15,16-Epoxy-3-kauranone is a natural product found in Oryza sativa with data available.
Molecule SMILES: C=C(CCC(C(=O)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)OC)C(C)(C)C1CC3)C(C)C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: 3a-(3-Hydroxy-5-methoxy-3-methyl-1,5-dioxopentyloxy)-24-methylene-5a-lanost-8-en-21-oic acid is a natural product found in Ganoderma resinaceum with data available.
Molecule SMILES: CCC=CCCCCCCCCCCCCCCCc1cccc(O)c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: 3-Nonadec-16-enylphenol is a natural product found in Lannea edulis with data available.
Molecule SMILES: CS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide is a member of (trifluoromethyl)benzenes.
Molecule SMILES: NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: Neamine sulfate is an aminoglycoside sulfate salt that is the sulfate salt of neamine; a component of neomycin sulfate. It contains a neamine.
Molecule SMILES: CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5OC(=O)c2cc(OC)c(OC)c(OC)c2)N3C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(1S,9S,10R,12S,13R,14R,16R,18S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate is a natural product found in Rauvolfia serpentina with data available.
Molecule SMILES: O=C1CCCC2C3CCCN4CCCC(CN12)C34

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: (5beta,6beta,7beta,11alpha)-Matridin-15-one is a natural product found in Gymnospermium albertii and Euchresta japonica with data available.
Molecule SMILES: COC1=CC(O)(c2oc3cc(O)cc(O)c3c(=O)c2O)CCC1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: 3,5,7-trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohex-2-en-1-yl)-4H-chromen-4-one is a member of chromones.
Molecule SMILES: CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: Arganine C is a natural product found in Mimusops laurifolia, Crossopteryx febrifuga, and other organisms with data available.
Molecule SMILES: CC(CCC(C)(C)O)C1CCC(=O)C23CC(=O)C4=CC(O)C(O)CC4(C)C2CCC13C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: (1R,6S,7R,9R,10R,13R,14R)-6,7-dihydroxy-14-[(2R)-5-hydroxy-5-methylhexan-2-yl]-9,13-dimethyltetracyclo[8.7.0.01,13.04,9]heptadec-4-ene-3,17-dione is a natural product found in Synoicum adareanum with data available.
Molecule SMILES: c1ccc2sc(SN3CCOCC3)nc2c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Morpholinylmercaptobenzothiazole is a Standardized Chemical Allergen. The physiologic effect of morpholinylmercaptobenzothiazole is by means of Increased Histamine Release, and Cell-mediated Immunity.
Molecule SMILES: CN1CCc2cn(C)c3c2C1=CC(=O)C3=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Damirone A is a natural product found in Zyzzya fuliginosa, Zyzzya, and Spongosorites with data available.
Molecule SMILES: O=C(O)C1OC(OC2C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C2OS(=O)(=O)O)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4R,5R,6S)-6-hydroxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxane-2-carboxylic acid is a disaccharide derivative and a carbohydrate sulfate.
Molecule SMILES: O=S(=O)(O)Oc1cc2c(ccn2S(=O)(=O)O)c(Cl)c1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 4-Chloro-5-hydroxy-6-sulfooxy-indole-1-sulfonic acid is a natural product found in Ancorina with data available.
Molecule SMILES: COc1c(O)c(C)c2c(c1O)C1OC2C2C(=O)C(O)CCC(C)=CC3C=C(C)C(C)C4C(CC(C)C)NC(=O)C34C(=O)C12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Asperchalasine D is a natural product found in Aspergillus flavipes with data available.
Molecule SMILES: CCCCCCCCCCCCCC(=O)OC(CC(C)=O)CC(C)(C)C(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(4S,8E,10E,12E,14E,16E,18E,20E,22Z,24E)-25-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-6,6,10,14,19,23-hexamethyl-2,7-dioxopentacosa-8,10,12,14,16,18,20,22,24-nonaen-4-yl] tetradecanoate is a natural product found in Pittosporum tobira with data available.
Molecule SMILES: CC(=O)OC1CCC2C(C)(CCC3C2(C)CCC2(C)C4CC(C)(C)C(OC(C)=O)CC4(C)CCC32C)C1C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: [(3R,4R,4aS,6aS,6aS,6bR,8aS,10R,12aR,14aS,14bS)-10-acetyloxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl] acetate is a natural product found in Euphorbia tortilis with data available.
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)NC(Cc1c[nH]c2ccccc12)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Na-p-Hydroxycoumaroyltryptophan is a N-acyl-amino acid.
Molecule SMILES: Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: Febuxostat is a newly introduced nonpurine xanthine oxidase inhibitor used for the treatment of gout. Chronic febuxostat therapy has been associated with minor serum aminotransferase elevations, but has yet to be linked to cases of clinically apparent acute liver injury.
Molecule SMILES: Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: Febuxostat is a 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor. It is an aromatic ether, a nitrile and a 1,3-thiazolemonocarboxylic acid.
Molecule SMILES: Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Febuxostat is a non-purine xanthine oxidase (XO) inhibitor. In early 2008, febuxostat was granted marketing authorization by the European Commission for the treatment of chronic hyperuricemia and gout. In the following year, the FDA for approved febuxostat for use in the chronic management of hyperuricemia in adult patients with gout who have an inadequate response or intolerance to [allopurinol]. Gout is a form of arthritis that is caused by the accumulation of uric acid crystal in or around a joint, leading to inflammation and further deposition of uric acid crystal deposition in bones, joints, tissues, and other organs in the long term. Gout is closely associated with hyperuricemia. Febuxostat works by inhibiting the activity of an enzyme that is responsible for the synthesis of uric acid, thereby reducing serum uric acid levels.   In February 2019, a black box warning for febuxostat was added, based on the findings of a post-market clinical study (the CARES trial) where there was an increased risk of cardiovascular (CV) fatal outcomes in patients with gout and known cardiovascular disease treated with febuxostat, when compared to those treated with allopurinol. The manufacturer and the FDA advise health professionals to limit the use of febuxostat to second-line therapy in patients who have inadequate response or intolerance to allopurinol, and to avoid the use of febuxostat in patients with cardiovascular diseases.
Molecule SMILES: Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Febuxostat is a Xanthine Oxidase Inhibitor. The mechanism of action of febuxostat is as a Xanthine Oxidase Inhibitor.
Molecule SMILES: Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Febuxostat is an orally available, non-purine inhibitor of xanthine oxidase with uric acid lowering activity. Upon oral administration, febuxostat selectively and noncompetitively inhibits the activity of xanthine oxidase, an enzyme that converts oxypurines, including hypoxanthine and xanthine, into uric acid. By inhibiting xanthine oxidase, uric acid production is reduced and serum uric acid levels are lowered. Febuxostat may provide protection against acute renal failure caused by the excessive release of uric acid that occurs upon massive tumor cell lysis resulting from the treatment of some malignancies.