IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)C(OC(=O)CC(C)(C)O)C(OC(=O)C(C)(O)C(C)OC(C)=O)C12

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: methyl (3aS,4S,5S,6E,10E,11aR)-4-[(2S,3S)-3-acetyloxy-2-hydroxy-2-methylbutanoyl]oxy-5-(3-hydroxy-3-methylbutanoyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate is a natural product found in Tetragonotheca helianthoides with data available.
Molecule SMILES: C=C(CCCC(C)CO)c1ccc(C(=O)O)cc1O

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: 7-Deoxy-7,14-didehydro-12-hydroxysydonic acid is a natural product found in Aspergillus with data available.
Molecule SMILES: CC1C(=O)OC2C3=C(CO)C=CC(=O)C3(C)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> What do you know about the molecule?

assistant: (3S,3aS,5aR,9bS)-9-(hydroxymethyl)-3,5a-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,6-dione is a natural product found in Artemisia herba-alba with data available.
Molecule SMILES: O=C(O)C=CC=C(F)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> The above is a compound. Could you please tell me something about it?

assistant: 2-Fluoro-cis,cis-muconate is a polyunsaturated dicarboxylic acid.
Molecule SMILES: O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)OC(O)(C(=O)O)C3

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: (4R)-4,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid is a natural product found in Sonneratia alba with data available.
Molecule SMILES: CC(=O)CCC(=O)CCC(=O)CCCC(=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: 5,8,11-Trioxododecanoic acid is an oxo carboxylic acid.
Molecule SMILES: COc1cccc(C2(O)CCCCC2CN)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: 2-Aminomethyl-1-(m-methoxyphenyl)cyclohexanol is a member of methoxybenzenes.
Molecule SMILES: O=C1CN=C(c2ccccc2)c2c(sc3c2CCCC3)N1

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: Bentazepam is an organosulfur heterocyclic compound and an organonitrogen heterocyclic compound.
Molecule SMILES: COC(=O)c1cc(O)c2c(c1)C(=O)c1c(O)cccc1C2=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: Methyl 4,8-dihydroxy-9,10-dioxoanthracene-2-carboxylate is a natural product found in Engelhardia roxburghiana with data available.
Molecule SMILES: CC(=O)NC1C(O)CC(OC(CO)C(O)C2OC(OC3C(O)C(CO)OC(OC4C(O)C(OC5C(O)C(OC6C(OC7(C(=O)O)CC(O)C(O)C(C(O)CO)O7)CC(O)(C(=O)O)OC6C(O)CO)OC(C(O)CO)C5OC5OC(CO)C(O)C(O)C5O)OC(C(O)CO)C4O)C3O)(C(=O)O)CC(O)C2NC(C)=O)(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: Please give me some details about this molecule <molecule_2d> .

assistant: Alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo is a branched amino octasaccharide consisting of a linear hexasaccharide comprising two N-acetyl-alpha-neuraminic acid residues, a beta-D-galactose residue, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->8), (2->3), (1->3),(1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.
Molecule SMILES: CCCCCCC=CCCCCCCCC(=O)OCC(CO)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 1,2-di-[(9Z)-hexadecenoyl]glycerol is a 1,2-diglyceride in which the acyl groups at positions 1 and 2 are specified as (9Z)-hexadecenoyl. It has a role as a Mycoplasma genitalium metabolite. It is a 1,2-diglyceride and a diacylglycerol 32:2. It is functionally related to a palmitoleic acid.
Molecule SMILES: CC(C)C1NC(=O)C([N+](=O)[O-])Cc2cn(c3ccccc23)C(=O)c2ccccc2NC1=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: Psychrophilin B is a natural product found in Penicillium with data available.
Molecule SMILES: C=C1C(=O)OC2CC3(Cl)C(O)CCC(C)C3(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: (3aR,4aR,5S,8R,8aR,9aR)-8a-chloro-8-hydroxy-4a,5-dimethyl-3-methylidene-3a,4,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one is a natural product found in Ondetia linearis with data available.
Molecule SMILES: N#COOC#N

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: Dioxidanedicarbonitrile is a nitrile and an organic peroxide.
Molecule SMILES: CC(C)C(C)C=CC(C)C1CCC2C3=CC(O)C4CC(O)CCC4(C)C3CCC21C

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: 17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol is a natural product found in Aspergillus ochraceus with data available.
Molecule SMILES: O=c1ccc2cc(O)c(O)cc2o1

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: Esculetin is a hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. It has a role as an antioxidant, an ultraviolet filter and a plant metabolite.
Molecule SMILES: O=c1ccc2cc(O)c(O)cc2o1

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: Esculetin is a natural product found in Artemisia eriopoda, Euphorbia decipiens, and other organisms with data available.
Molecule SMILES: CC(C)=CC(C)(C)CC(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 brief overview of this molecule <molecule_2d> .

assistant: Triisobutylene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Used to make rubber products, oil additives and motor fuels.
Molecule SMILES: COc1ccc(-c2coc3c(OC)c(OCC=C(C)C)ccc3c2=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: 8-Methoxy-3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one is a natural product found in Pongamia pinnata var. pinnata and Pongamia pinnata with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)Cc1ccc(Cl)c(Cl)c1

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: (8S,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one is a lactam and an azamacrocycle.
Molecule SMILES: O=C(CN1CCOCC1)NCCC1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)C(CO)O1

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-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide is an amino acid amide.
Molecule SMILES: CC1CCC2C(C)C(=O)OC2C2(C)C1=CC(O)C2O

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: Hysterone E is a natural product found in Parthenium hysterophorus with data available.
Molecule SMILES: CC1CC(C2OC2(C)C)OC2(O)C1C1(C)CCC34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CCC4C1(C)C2O

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: Shengmanol xyloside is a natural product found in Actaea dahurica and Actaea japonica with data available.
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(OC4OC(CO)C(O)C(O)C4O)cc23)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 description of this molecule <molecule_2d> .

assistant: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate is a natural product found in Gentiana with data available.
Molecule SMILES: O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c2)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: 2-[3,4-Dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one is a natural product found in Pinus strobus with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(OC3C(CO)OC(OC4C(O)CC(O)(C(=O)O)OC4C(O)CO)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)OC(CO)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: Alpha-D-GalNAc-(1->2)-beta-D-Man-(1->4)-[beta-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo is a branched amino pentasaccharide consisting of an N-acetyl-alpha-D-galactosaminyl-(1->2)-beta-D-mannosyl-(1->4)-alpha-D-mannosyl-(1->5)-3-deoxy-alpha-D-manno-oct-2-ulosonic acid tetrasaccharide chain, to the alpha-D-mannosyl residue of which is also linked beta(1->2) a D-glucosyl residue. Epitope of Francisella tularensis. It has a role as an epitope.
Molecule SMILES: O=C([O-])C1CCCN1

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: L-prolinate is an optically active form of prolinate having L-configuration. It has a role as a human metabolite. It is a prolinate and a L-alpha-amino acid anion. It is a conjugate base of a L-proline. It is an enantiomer of a D-prolinate.
Molecule SMILES: Cc1cc2c(CO)cccc2[nH]1

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-methyl-1H-indol-4-yl)methanol is a natural product found in Tricholoma sciodes and Tricholoma virgatum with data available.
Molecule SMILES: CC(C)CC(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)(OC1OC(CO)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: <molecule_2d> What do you know about the molecule?

assistant: (3R)-3-Isobutyl-3-(beta-D-glucopyranosyloxy)butanedioic acid 1-[4-(beta-D-glucopyranosyloxy)benzyl] ester is a natural product found in Gymnadenia conopsea with data available.
Molecule SMILES: CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)CN(CCO)C3=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: Chartarlactam N is a natural product found in Stachybotrys chartarum with data available.
Molecule SMILES: C=C1CC(=CC)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(C)O)C23

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: Spartioidine N-oxide is a pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12, two oxo substituents at positions 11 and 16 and an N-oxido substituent. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, an olefinic compound, an organic heterotricyclic compound, a pyrrolizine alkaloid, a tertiary alcohol and a tertiary amine oxide. It is functionally related to a spartioidine.
Molecule SMILES: C=C1CC(=CC)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(C)O)C23

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: Seneciphylline N-oxide is a natural product found in Jacobaea persoonii with data available.
Molecule SMILES: C=CC1(C)CCC2=C(C1)C(=O)CC1C(C)(C(=O)OC)CCCC21C

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: methyl (1R,4aS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthrene-1-carboxylate is a natural product found in Juniperus communis with data available.
Molecule SMILES: CC=CC1=CC2=C(CO1)C(=O)C1(C)OC(=O)C(C(=O)CCCCCCC)C1C2

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: 2,3,3a,4,9,9a-Hexahydro-3-octanoyl-6-(1-propenyl)-9a-methyl-8H-furo[3,2-g][2]benzopyran-2,9-dione is a natural product found in Penicillium and Monascus pilosus with data available.
Molecule SMILES: CC(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC=CC(=O)O3)C21

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: Dehydromonacolin N is a natural product found in Monascus purpureus with data available.
Molecule SMILES: O=c1oc2cc(O)c1-c1cc(O)c(O)cc1C=Cc1cc3c(c(=O)o1)C(c1cc(O)c(c(=O)o1)-c1cc(O)c(O)cc1C=Cc1cc4c(c(=O)o1)C2C(c1ccc(O)c(O)c1)O4)C(c1ccc(O)c(O)c1)O3

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: Phelligridimer A is a macrocycle isolated from the fungus Phellinus igniarius and has been shown to exhibit antioxidant activity. It has a role as an antioxidant and a fungal metabolite. It is a polyphenol, a furopyran, a delta-lactone and a macrocycle.
Molecule SMILES: O=c1oc2cc(O)c1-c1cc(O)c(O)cc1C=Cc1cc3c(c(=O)o1)C(c1cc(O)c(c(=O)o1)-c1cc(O)c(O)cc1C=Cc1cc4c(c(=O)o1)C2C(c1ccc(O)c(O)c1)O4)C(c1ccc(O)c(O)c1)O3

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: Phelligridimer A is a natural product found in Tropicoporus linteus with data available.
Molecule SMILES: COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C(=O)C=CC(C)C(O)C(C)C)OC1=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: Bafilomycin D is a natural product found in Streptomyces griseus, Streptomyces cavourensis, and other organisms with data available.
Molecule SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4OC(C)=O)cc3o2)cc1O

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: 2-(3-Hydroxy-4-methoxyphenyl)-5-hydroxy-7-(2-O-acetyl-beta-D-glucopyranuronosyloxy)-4H-1-benzopyran-4-one is a natural product found in Meehania fargesii with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)C4NC(C)=O)C(O)C(OC4OC(CO)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC7(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O7)C6O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(OC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C5O)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: Provide a description of this molecule <molecule_2d> .

assistant: CID 146015434 is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: O=c1c(-c2ccc(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12

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-[4-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Styphnolobium japonicum with data available.
Molecule SMILES: Cc1cc2ncn(N=Cc3ccc([N+](=O)[O-])o3)c2cc1C

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-(5,6-dimethyl-1-benzimidazolyl)-1-(5-nitro-2-furanyl)methanimine is a member of benzimidazoles.
Molecule SMILES: CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F

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: Capmatinib is a small molecule kinase inhibitor targeted against c-Met (a.k.a. hepatocyte growth factor receptor [HGFR]), a receptor tyrosine kinase that, in healthy humans, activates signaling cascades involved in organ regeneration and tissue repair. Aberrant c-Met activation - via mutations, amplification, and/or overexpression - is known to occur in many types of cancer, and leads to overactivation of multiple downstream signaling pathways such as STAT3, PI3K/ATK, and RAS/MAPK. Mutations in MET have been detected in non-small cell lung cancer (NSCLC), and the prevalence of MET amplification in epidermal growth factor receptor tyrosine kinase inhibitor (EGFR-TKI)-naive patients with NSCLC has been reported to be 1.4% - 21%. This co-occurrence has made c-Met a desirable target in the treatment of NSCLC.  Manufactured by Novartis and marketed under the brand name Tabrecta, capmatinib was granted accelerated approval by the FDA on May 6, 2020, for the treatment of NSCLC in patients whose tumors have a mutation that leads to mesenchymal-epithelial transition (MET) exon 14 skipping. The presence of the mutation must be confirmed by an FDA-approved test, such as the FoundationOne CDx assay (manufactured by Foundation Medicine, Inc.), which was approved by the FDA on the same day. As this indication was granted under an accelerated approval, its continued approval is contingent upon verification of capmatinib's benefit in confirmatory trials. Capmatinib was approved by Health Canada on June 8, 2022.
Molecule SMILES: CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F

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: Capmatinib is a Kinase Inhibitor. The mechanism of action of capmatinib is as a Mesenchymal Epithelial Transition Inhibitor, and Cytochrome P450 1A2 Inhibitor, and P-Glycoprotein Inhibitor, and Breast Cancer Resistance Protein Inhibitor, and Multidrug and Toxin Extrusion Transporter 1 Inhibitor, and Multidrug and Toxin Extrusion Transporter 2 K Inhibitor.
Molecule SMILES: CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F

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: Capmatinib is an orally bioavailable inhibitor of the proto-oncogene c-Met (also known as hepatocyte growth factor receptor (HGFR)) with potential antineoplastic activity. Capmatinib selectively binds to c-Met, thereby inhibiting c-Met phosphorylation and disrupting c-Met signal transduction pathways. This may induce cell death in tumor cells overexpressing c-Met protein or expressing constitutively activated c-Met protein. c-Met, a receptor tyrosine kinase overexpressed or mutated in many tumor cell types, plays key roles in tumor cell proliferation, survival, invasion, metastasis, and tumor angiogenesis.
Molecule SMILES: COC1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OCC(C)N(C)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-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: COc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2

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)-2-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol is a natural product found in Dracaena draco with data available.
Molecule SMILES: CC(=O)OCC1=CCCC2C1(C)CCC(C)C2(C)CCC(C)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: <molecule_2d> What do you know about the molecule?

assistant: (3R)-5-[(1S,2S,4aR,8aR)-5-(acetyloxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid is a natural product found in Liatris scariosa with data available.