IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: Cc1cc(O)c2c(c1Cl)OC1C=C(O)C=C(C(=O)O)C1C2=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: 5-Chloro-3,8-dihydroxy-6-methyl-9-oxo-4a,9a-dihydroxanthene-1-carboxylic acid is a natural product found in Aspergillus iizukae with data available.
Molecule SMILES: CC=C1CN2C3CC1C1(C(=O)OC)C2CC2(c4ccccc4NC32)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: Quebrachidine is a monoterpenoid indole alkaloid.
Molecule SMILES: CN1CCC23CCC(=O)C4(O)OC(CC142)c1cc2c(cc13)OCO2

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: (1R,11S,13S,14R)-14-hydroxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-15-one is a natural product found in Stephania japonica with data available.
Molecule SMILES: CC(=O)CC(C)(C)NC(=O)C(=O)NC(C)(C)CC(C)=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: Collacyclumin B is a natural product found in Colletotrichum salsolae with data available.
Molecule SMILES: C=CC(C)=CCC1(C)C(C)CC(O)C23C(=CC(OC(=O)CC(C)C)CC12)C(OC(C)=O)OC3OC(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> The above is a compound. Could you please tell me something about it?

assistant: [(1S,3R,5R,6aS,7R,8R,10S,10aS)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 3-methylbutanoate is a natural product found in Casearia grewiifolia with data available.
Molecule SMILES: CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

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,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13S,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Panax ginseng with data available.
Molecule SMILES: NC1=NC(O)C2(N1)C(Cl)C(CNC(=O)c1cc(Br)c(Br)[nH]1)C1CN3C(=O)c4[nH]cc(Br)c4C4N=C(N)NC43C12

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: 4,5-dibromo-N-[[(1'R,4S,5R,5'S,14'S,15'S,16'S,18'S)-2,3'-diamino-7'-bromo-16'-chloro-4-hydroxy-11'-oxospiro[1,4-dihydroimidazole-5,17'-2,4,9,12-tetrazapentacyclo[10.6.0.01,5.06,10.014,18]octadeca-3,6(10),7-triene]-15'-yl]methyl]-1H-pyrrole-2-carboxamide is a natural product found in Axinella verrucosa with data available.
Molecule SMILES: NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)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 provide a description of this molecule <molecule_2d> ?

assistant: N6-Galacturonyl-L-lysine is a N-glycosyl compound.
Molecule SMILES: COc1c(C=O)c(O)c(C)c(O)c1C(=O)C=Cc1ccc(O)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: 2'-Methoxy-3'-formyl-4,4',6'-trihydroxy-5'-methylchalcone is a natural product found in Syzygium nervosum with data available.
Molecule SMILES: CC1=CCC(O)(C(C)(C)O)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: p-Menth-1-ene-4beta,8-diol is a natural product found in Curcuma comosa with data available.
Molecule SMILES: CC1(CO)C(O)C(=O)CC2(C)C3CCc4cocc4C3(CO)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 brief overview of this molecule <molecule_2d> .

assistant: Epispongiatriol is a natural product found in Doriprismatica atromarginata and Rhopaloeides odorabile with data available.
Molecule SMILES: COC1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OCC(C)N(C(C)=O)CC1C

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: N-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: Cc1nonc1NC(=O)Nc1cccnc1

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: 1-(4-methyl-1,2,5-oxadiazol-3-yl)-3-(3-pyridinyl)urea is a member of pyridines.
Molecule SMILES: CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Pentanoyl-CoA(4-) is an acyl-CoA(4-) that is the tetranion of pentanoyl-CoA, arising from deprotonation of phosphate and diphosphate functions. It is an acyl-CoA(4-) and a short chain fatty acyl-CoA(4-). It is a conjugate base of a pentanoyl-CoA.
Molecule SMILES: CNCC1OCCCCC(C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N(C(C)CO)CC1C

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: N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide is an azamacrocycle and a lactam.
Molecule SMILES: C=CCCCCCCCC=CCC=CCC=CCC

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: Nonadeca-1,10,13,16-tetraene is a natural product found in Notheia anomala with data available.
Molecule SMILES: O=CN1CCN(c2ccc(C=C3C(=O)Nc4ccccc43)cc2)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: SU4984 is a substance that inhibits the tyrosine kinase activity of fibroblast growth factor receptor 1, tyrosine phosphorylation of the PDGF receptor and the insulin receptor. (NCI)
Molecule SMILES: CC(C)(O)c1ccc2c(c1)C(O)CC1C(C)(C=O)CCCC21C

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: 9-Hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde is a natural product found in Larix kaempferi with data available.
Molecule SMILES: CC1(C)SC2C(NC(=O)C(C(=O)[O-])c3ccsc3)C(=O)N2C1C(=O)[O-].[Na+].[Na+]

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: Ticarcillin Disodium is the disodium salt form of ticarcillin, a broad-spectrum, semi-synthetic penicillin antibiotic with bactericidal and beta-lactamase resistant activity. Similar to carbenicillin in action, ticarcillin inactivates the penicillin-sensitive transpeptidase C-terminal domain by opening the lactam ring. This inactivation prevents the cross-linkage of peptidoglycan strands, thereby inhibiting the third and last stage of bacterial cell wall synthesis. This leads to incomplete bacterial cell wall synthesis and eventually causes cell lysis.
Molecule SMILES: CC1OC(OC2C(Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)OC(CO)C(O)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: Describe this molecule: <molecule_2d> .

assistant: Myricetin 3-neohesperidoside is a member of flavonoids and a glycoside.
Molecule SMILES: CC1OC(OC2C(Oc3c(-c4cc(O)c(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)OC(CO)C(O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Myricetin 3-neohesperidoside is a natural product found in Clitoria ternatea with data available.
Molecule SMILES: COc1cc(C2C3C(=O)OCC4(OC5OC(CO)C(O)C(O)C5O)OC(CO)C(OC(=O)C3C2c2ccc(O)c(OC)c2)C4O)ccc1O

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: Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) is a glycoside and a stilbenoid.
Molecule SMILES: CC1OC(O)C(O)C(C)C1OC1OC2COC(C)(C(=O)OC(=O)O)OC2C(OC2OC(CO)C(O)C(O)C2O)C1O

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: exopolysaccharide, Pseudomonas is a natural product found in Streptomyces carpaticus with data available.
Molecule SMILES: CC(C)CCCC(C)C1CCC(C2=CC(O)C3(O)CC(O)CCC3(C)C2=O)C1(C)CCO

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: (4S,4aR,6S,8aS)-4,4a,6-trihydroxy-2-[(1R,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-1-one is a natural product found in Dysidea fragilis with data available.
Molecule SMILES: CC(CC[NH+]=C(N)N)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: 5-guanidino-3-methyl-2-oxopentanoic acid zwitterion is a zwitterion obtained by transfer of a proton from the carboxy to the guanidino group of 5-guanidino-3-methyl-2-oxopentanoic acid; major species at pH 7.3. It is a tautomer of a 5-guanidino-3-methyl-2-oxopentanoic acid.
Molecule SMILES: CC1CCCCOC(CN(C)S(=O)(=O)c2ccc(Cl)cc2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O1

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-aminophenyl)-N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-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]heptanediamide is a lactam and an azamacrocycle.
Molecule SMILES: COc1ccc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)cc1O

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: Iriskumaonin is a natural product found in Iris potaninii, Iris tingitana, and Iris kemaonensis with data available.
Molecule SMILES: CC=C(C)C(=O)OC1c2c(C)coc2CC23OC2CCC(C)C13C

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: [(1S,8S,9S,10S,13R)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] (Z)-2-methylbut-2-enoate is a natural product found in Ligularia cyathiceps and Pittocaulon praecox with data available.
Molecule SMILES: C=C1C=CC(=O)N(C)CC(=O)NC(C(O)C(N)=O)C(=O)OC(C(C)CCCCCCCCCCCCCCC)C(C)C(=O)N1

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: Rakicidin I is a natural product found in Micromonospora chalcea with data available.
Molecule SMILES: CC(C)=CCCC(C)=CCCC(C)=CCC12CC(=O)OC(C1)C(O)CC2=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: (1R,5R)-5-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-8alpha-hydroxy-2-oxabicyclo[3.3.1]nonane-3,6-dione is a natural product found in Otoba parvifolia with data available.
Molecule SMILES: CC(=O)OCC1OC(OC2C(CO)OC(n3cnc4c(N)ncnc43)C2OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=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 brief overview of this molecule <molecule_2d> .

assistant: Adenophostin B is a disaccharide phosphate.
Molecule SMILES: CC(=O)OCC1OC(OC2C(CO)OC(n3cnc4c(N)ncnc43)C2OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=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: Describe this molecule: <molecule_2d> .

assistant: Adenophostin B is a natural product found in Penicillium brevicompactum with data available.
Molecule SMILES: COc1ccc(CCC(=O)c2c(OC)cc3c(c2O)CC(C(c2cc(O)c(O)cc2O)c2c(O)cc(OC)c(C(=O)CCc4ccc(OC)cc4)c2O)O3)cc1

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: Iryantherin F is a natural product found in Iryanthera ulei and Iryanthera hostmannii with data available.
Molecule SMILES: COC1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OCC(C)N(C(=O)C2CCCCC2)CC1C

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-[(5R,6S,9R)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide is an azamacrocycle and a lactam.
Molecule SMILES: COc1c(-c2ccccc2)oc2cc(O)cc(OC)c2c1=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: 7-Hydroxy-3,5-dimethoxyflavone is a natural product found in Heliotropium sinuatum with data available.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCC

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: PC(18:2(9Z,12Z)/16:1(9Z)) is a 1,2-diacyl-sn-glycero-3-phosphocholine and a PC(18:2/16:1).
Molecule SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCC

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: PC(18:2(9Z,12Z)/16:1(9Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCC

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: PC(18:2(9Z,12Z)/16:1(9Z)) is a natural product found in Lysiphlebia japonica and Aphis gossypii with data available.
Molecule SMILES: CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1

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: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is a member of indoles.
Molecule SMILES: O=C(O)c1ccnc2ccccc12

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: Quinoline-4-carboxylic acid is a quinolinemonocarboxylic acid. It is a conjugate acid of a quinoline-4-carboxylate.
Molecule SMILES: O=C(O)c1ccnc2ccccc12

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: Quinoline-4-carboxylic acid is a natural product found in Archangium with data available.
Molecule SMILES: COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(C)C(O)CC3O)C2NC(C)=O)C(OC2OC(C)C(O)C(O)C2O)C1NC(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> The above is a compound. Could you please tell me something about it?

assistant: Beta-D-Tyvp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-OMe is a branched amino tetrasaccharide consisting of methyl N-acetyl-beta-D-glucosaminide having an alpha-L-fucosyl residue at the 2-position and a beta-D-tyvelosyl-(1->3)-N-acetyl-beta-D-galactosaminyl group at the 3-position. It has a role as an epitope.
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: [6-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate is a natural product found in Lotus with data available.
Molecule SMILES: Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1

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: Mirabegron is a beta-3 adrenergic agonist that is used for treatment of overactive bladder syndrome. Mirabegron has not been implicated in causing liver enzyme elevations or clinically apparent acute liver injury.
Molecule SMILES: Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1

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: Mirabegron is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-amino-1,3-thiazol-4-ylacetic acid with the anilino group of (1R)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol. Used for the treatment of overactive bladder syndrome. It has a role as a beta-adrenergic agonist. It is a member of 1,3-thiazoles, an aromatic amide, a member of ethanolamines and a monocarboxylic acid amide.
Molecule SMILES: Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1

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: Mirabegron is a sympathomimetic beta-3 adrenergic receptor agonist used to relax the smooth muscle of the bladder in the treatment of urinary frequency and incontinence. It is unique amongst overactive bladder treatment options in that, unlike other treatments such as [solifenacin] and [darifenacin], it lacks significant antimuscarinic activity, which is responsible both for the therapeutic effects of these medications and their broad range of adverse effects. Mirabegron has a comparatively favorable adverse effect profile as compared to other available treatment options, and its complementary mechanism to the antimuscarinics that came before it allows for its use alongside solifenacin in refractory cases.  Mirabegron first received FDA approval in 2012, under the brand name Myrbetriq, for the treatment of adults with overactive bladder. An extended-release granule formulation was subsequently granted approval in March 2021 for the treatment of pediatric patients with neurogenic detrusor overactivity. Mirabegron is also used in other jurisdictions across the globe, including Canada, the EU, and Japan.
Molecule SMILES: Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1

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: Mirabegron is a beta3-Adrenergic Agonist. The mechanism of action of mirabegron is as an Adrenergic beta3-Agonist, and Cytochrome P450 2D6 Inhibitor, and Cytochrome P450 3A Inhibitor, and P-Glycoprotein Inhibitor.
Molecule SMILES: Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1

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: Mirabegron is an orally bioavailable agonist of the human beta-3 adrenergic receptor (ADRB3), with muscle relaxing, neuroprotective and potential antineoplastic activities.  Upon oral administration, mirabegron binds to and activates ADRB3, which leads to smooth muscle relaxation. Mirabegron also restores sympathetic stimulation in mesenchymal stem cell (MSC) niches, inhibits JAK2-mutated hematopoietic stem cell (HSC) expansion and blocks the progression of myeloproliferative neoplasms (MPNs). Lack of sympathetic stimulation of the MSC and HSC niche is associated with the development of MPNs.
Molecule SMILES: CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O

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: dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-7-hydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate is a natural product found in Azadirachta excelsa with data available.
Molecule SMILES: Cc1cn(C2CC(OP(=O)(O)Oc3c[nH]c4ccc(Br)c(Cl)c34)C(CO)O2)c(=O)[nH]c1=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: 5-bromo-4-chloro-3-indolyl thymidine 3'-phosphate is a pyrimidine 2'-deoxyribonucleoside 3'-monophosphate that is the mono-(5-bromo-4-chloro-indol-3-yl) ester of thymidine 3'-phosphate. It has a role as a chromogenic compound. It is a bromoindole, a chloroindole and a pyrimidine 2'-deoxyribonucleoside 3'-monophosphate. It is functionally related to a thymidine 3'-monophosphate.