IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)(O)CCC(O)C(C)(C)O)CCC4(C)C3CCC2C1(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: [(3R,5R,8R,9S,10R,13R,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S,5S)-2,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is a natural product found in Nothofagus pumilio with data available.
Molecule SMILES: COC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1

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: 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester is an amidobenzoic acid.
Molecule SMILES: CCCC1OC(=O)C(C)CC(C)CCCCC(=O)CCCC(CC)C=CC=C(C)CCC(O)C(O)CC(O)CNC1=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,6S,8S,9R,12E,14E,16R,25S,27S)-16-ethyl-6,8,9-trihydroxy-12,25,27-trimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione is a natural product found in Myxococcus virescens with data available.
Molecule SMILES: O=c1ccc2cc(OCCCCc3nn[nH][n+]3C3CCCCC3)ccc2[nH]1

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: 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]- 3,4-dihydro-4-hydroxy-2(1H)-quinolinone Hydroxylation is a member of quinolines.
Molecule SMILES: C#CCCCC1OC(=O)C(C(C)CC)N(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)OC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C1C

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: Tiahuramide A is a natural product found in Lyngbya majuscula with data available.
Molecule SMILES: COC(=O)CC1C(C)(C)C(OC(C)=O)C2C(OC(C)=O)C34OC2(O)C1(C)C3CCC1(C)C4=CC(=O)OC1c1ccoc1

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: XYLOCARPUS A is a limonoid.
Molecule SMILES: CC1=C2[N-]C(C)(C3N=C(C(C)C4=NC(C)(CC5=C(CCC(=O)[O-])C(C)(CC(=O)[O-])C1=N5)C(C)=C4CCC(=O)[O-])C(C)(CCC(=O)[O-])C3CC(=O)[O-])C(C)(CC(=O)[O-])C2CCC(=O)[O-].[Co]

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: Cobalt-precorrin-8(6-) is a precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt-precorrin-8. It is a conjugate base of a cobalt-precorrin-8.
Molecule SMILES: O=C(O)CCC(O)Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)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: Tell me something about this molecule: <molecule_2d>

assistant: 6-[4-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a lipopolysaccharide.
Molecule SMILES: NC(=O)Cc1c(OC(=O)NCCCCN=C(N)N)cc(Br)c(O)c1Br

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: Clavatadine B is a natural product found in Suberea clavata with data available.
Molecule SMILES: CCCCC=CC=CC=CC1CCC(OC(C)=O)C(C)N1C

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: Microgrewiapine A 3-Acetate is a natural product found in Microcos paniculata with data available.
Molecule SMILES: O=CC=CC(C(=O)O)=C(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: Please give me some details about this molecule <molecule_2d> .

assistant: 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid is a carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 3-position. It is a conjugate acid of a 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate.
Molecule SMILES: CCOc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1

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: N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-ethoxyaniline is a member of triazoles.
Molecule SMILES: CC(=O)OC1=C(C)C(O)CC(O)C(CO)=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C1OC(C)=O)C2(C)C

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: 2alpha,9,10beta,13alpha-Tetraacetoxy-3,8-secotaxa-3,8,11-triene-5alpha,7beta,20-triol is a natural product found in Taxus wallichiana and Taxus sumatrana with data available.
Molecule SMILES: NCCCCC(NC(=O)c1cccc(O)c1O)C(=O)NC1COC(=O)C(NC(=O)C(CCCCN)NC(=O)c2cccc(O)c2O)COC(=O)C(NC(=O)C(CCCCN)NC(=O)c2cccc(O)c2O)COC1=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: (3S,7S,11S)-3,7,11-Tris[[(2R)-2-(2,3-dihydroxybenzoylamino)-6-aminohexanoyl]amino]-1,5,9-trioxacyclododecane-2,6,10-trione is a natural product found in Dickeya chrysanthemi with data available.
Molecule SMILES: C=C1CCCC(C)(C)C1CCC1(C)c2c(O)cc3c(c2OC1CC)C(=O)C=C(OC)C3=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: (2R,3S)-3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-ethyl-4-hydroxy-7-methoxy-3-methyl-2H-benzo[g][1]benzofuran-6,9-dione is a natural product found in Streptomyces niveus and Actinoalloteichus cyanogriseus with data available.
Molecule SMILES: COC1=C(C)C(C)(O)c2[nH]c3ccc(OC)cc3c2C1=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: 1-hydroxy-3,6-dimethoxy-1,2-dimethyl-9H-carbazol-4-one is a natural product found in Streptomyces luteoverticillatus and Streptomyces abikoensis with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(COC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6NC(C)=O)C(O)C5OC5OC(CO)C(O)C(O)C5NC(C)=O)C4O)C(O)C3NC(C)=O)C(O)C2NC(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: Tell me something about this molecule: <molecule_2d>

assistant: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: CCC(C)C1OC(=O)C=CCC(C(C)C=Cc2ccccc2)OC(=O)C(C)CNC(=O)C(Cc2ccc(OC)c(Cl)c2)NC1=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: Cryptophycin 18 is a natural product found in Nostoc with data available.
Molecule SMILES: COc1ccc(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1

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: 4-methoxybenzoic acid [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester is a methoxybenzoic acid.
Molecule SMILES: CC(C)CCCCCCCCCCCC(CC(N)=O)OC(=O)C(CCCC(=O)O)NC(=O)CC(O)CCCCCCCCCCC(C)C

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: 6-(1-Amino-15-methyl-1-oxohexadecan-3-yl)oxy-5-[(3-hydroxy-14-methylpentadecanoyl)amino]-6-oxohexanoic acid is a natural product found in Streptomyces with data available.
Molecule SMILES: COC(=O)C=Cc1cc2c(c(CC=C(C)C)c1)OC(C)(C)C=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: Methyl 3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-enoate is a natural product found in Werneria nubigena with data available.
Molecule SMILES: CC(COC(=O)c1ccccc1)CC1=CCOC2C1CCC1=CCC(C(C)C)CC12

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-(octahydro-9-isopropyl-2H-benzo [h] chromen-4-yl)-2-methylpropyl benzoate is a natural product found in Bacillus amyloliquefaciens with data available.
Molecule SMILES: COc1cc(C=CC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)ccc1O

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: (E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid 34-hydroxytetratriacontane-1-yl ester is a natural product found in Cylindrolobus lindleyi with data available.
Molecule SMILES: [Ba+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]

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: Barium ferrite is a chemical compound of barium and iron. It is used as a component in magnetic stripe cards. 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. (L214, 408, L244)
Molecule SMILES: CC1CN(C(C)CO)S(=O)(=O)c2ccc(C#Cc3cccc(F)c3)cc2OC1CN(C)C(=O)NC1CCCCC1

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-1-[[(4R,5R)-8-[2-(3-fluorophenyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea is an organofluorine compound.
Molecule SMILES: CC(=O)CCC(C=CC1(CO)CCC(=O)O1)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (6E)-5-Isopropyl-7-[2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl]-6-heptene-2-one is a natural product found in Tubercularia with data available.
Molecule SMILES: [NH3+]CCCCNO

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: N-hydroxyputrescine(1+) is cation of N-hydroxyputrescine arising from protonation of the terminal amino groups; major microspecies at pH 7.3. It is functionally related to a 1,4-butanediammonium. It is a conjugate acid of a N-hydroxyputrescine.
Molecule SMILES: COC1(c2c[nH]c3ccccc23)C(=O)Nc2ccccc21

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: Shewanelline A is a natural product found in Shewanella piezotolerans with data available.
Molecule SMILES: CC1OC(Oc2ccc(-c3coc4cc(OC5OC(C)C(O)C(O)C5O)ccc4c3=O)cc2)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: Tell me something about this molecule: <molecule_2d>

assistant: 7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C1CCCC(C)C(O)C2OC(=O)C(=C)C2CC(O)C2(C)CCC1O2

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: Uprolide D is a natural product found in Eunicea mammosa with data available.
Molecule SMILES: COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCNCC4)c3)nc12

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: MAX-40279 is under investigation in clinical trial NCT03412292 (MAX-40279 in Subjects With Acute Myelogenous Leukemia (AML)).
Molecule SMILES: COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(C4CCNCC4)c3)nc12

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: FLT3/FGFR Dual Kinase Inhibitor MAX-40279 is an orally bioavailable inhibitor of the fibroblast growth factor receptor (FGFR) and FMS-like tyrosine kinase 3 (FLT3; CD135; STK1; FLK2), with potential antineoplastic activity. Upon oral administration of FLT3/FGFR dual kinase inhibitor MAX-40279, this agent binds to and inhibits both FGFR and FLT3, including FLT3 mutant forms, which results in the inhibition of FGFR/FLT3-mediated signal transduction pathways. This inhibits proliferation in FGFR/FLT3-overexpressing tumor cells. FGFR, a family of receptor tyrosine kinases, is upregulated in many tumor cell types. FLT3, a class III receptor tyrosine kinase (RTK), is overexpressed or mutated in most B-lineage neoplasms and in acute myeloid leukemias. They both play key roles in cellular proliferation and survival.
Molecule SMILES: CCC(=O)OC1CCC2(C)C(=CC(=O)C3C2C(O)CC2(C)C(C(C)CCC(CC)CCO)CC(O)C32)C1

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: [(3S,8S,9R,10R,11R,13R,14S,15R,17R)-17-[(2R,5R)-5-ethyl-7-hydroxyheptan-2-yl]-11,15-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate is a natural product found in Achlya heterosexualis with data available.
Molecule SMILES: CC(=O)NC1C(O)CC(OCC2OC(O)C(O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO

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,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R)-4-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: Cc1ccccc1C=CC(=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: 2-Methylcinnamic Acid is a member of cinnamic acids.
Molecule SMILES: CC1CCCCOC(CN(C)S(=O)(=O)c2ccc(F)cc2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1

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: 1-[(3R,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea is a lactam and an azamacrocycle.
Molecule SMILES: CC(=O)c1cc2c(cc1O)OC(C(C)(C)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: 1-[(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone is a natural product found in Stylotrichium rotundifolium with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4NC(C)=O)C3O)C(O)C2NC(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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc is a branched amino heptasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at position 3 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 6 by an alpha-D-Man-(1->2)-alpha-D-Man group. It is an amino sugar, an amino heptasaccharide and a glucosamine oligosaccharide.
Molecule SMILES: C=C1CCC(C(C)C)C=CC(C)(O)CC(O)C=C(C)CCC1O

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: (1R,3R,4E,8S,12S,13E)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-4,13-diene-1,3,8-triol is a natural product found in Nicotiana tabacum with data available.
Molecule SMILES: CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12

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: Dutasteride is a 5-alpha reductase inhibitor used in the therapy of symptomatic benign prostatic hypertrophy. Dutasteride is associated with a low rate of transient serum aminotransferase elevations, but has yet to be linked to instances of clinically apparent acute liver injury.
Molecule SMILES: CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12

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: Dutasteride is an aza-steroid that is inasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland. It has a role as an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and an antihyperplasia drug. It is an aza-steroid, a member of (trifluoromethyl)benzenes and a delta-lactam. It derives from a hydride of a 5alpha-androstane.
Molecule SMILES: CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12

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: Dutasteride is an oral synthetic 4-azasteroid commonly marketed under the trade name Avodart. It is a novel dual 5α-reductase inhibitor that works by blocking both isoforms of 5α-reductase enzymes in a potent, selective, and irreversible manner. Type I and II 5α-reductase enzymes convert testosterone into dihydrotestosterone (DHT), a primary hormonal mediator that plays a role in the development and enlargement of the prostate gland. Dutasteride was approved by the FDA in 2001 for the treatment of symptomatic benign prostatic hyperplasia (BPH) in men as monotherapy or in combination with the α-adrenergic antagonist [tamsulosin] to enhance the therapeutic response. Its clinical efficacy against benign prostate hyperplasia in male patients is comparable to that of [finasteride], a specific type II 5α-reductase inhibitor. However, unlike finasteride, dutasteride is not yet indicated for the treatment of androgenic alopecia although it was demonstrated to be effective in several randomized, double-blind, placebo-controlled trials in androgenetic alopecia.
Molecule SMILES: CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12

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: Dutasteride is a 5-alpha Reductase Inhibitor. The mechanism of action of dutasteride is as a 5-alpha Reductase Inhibitor.
Molecule SMILES: CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12

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: Dutasteride is a synthetic 4-azasteroid compound. Dutasteride competitively and specifically binds to isoenzymes 1 and 2 of 5 alpha-reductase, forming stable enzyme complexes and inhibiting the conversion of testosterone to 5 alpha-dihydrotestosterone (DHT); the reduction in DHT activity may mitigate or prevent enlargement of the prostate gland. The type 2 5 alpha-reductase isoenzyme is primarily active in the reproductive tissues, while the type 1 isoenzyme is also active in skin and the liver.
Molecule SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)(O)OC1C(O)C(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: PI(12:0/18:0) is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2OC1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1

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: N-(2-aminophenyl)-4-[[[(2S,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide is a member of benzamides.