IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: Cc1cc(=O)c2c(O)cc(O)c(C3CC[N+](C)([O-])CC3O)c2o1

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: Rohitukine N-oxide is a natural product found in Dysoxylum gotadhora and Dysoxylum binectariferum with data available.
Molecule SMILES: NC1(C(=O)O)CC(=O)Oc2ccccc21

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: (4S)-4-amino-2-oxo-3H-chromene-4-carboxylic acid is a natural product found in Prunus domestica with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)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: Man5GlcNAc-IV is an amino sugar.
Molecule SMILES: CC=C(C)C(=O)OC1CC(C)=CCCC2(C)OC2C(O)C1C(C)C

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: [(1R,2R,3S,4S,6E,10S)-2-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] (Z)-2-methylbut-2-enoate is a natural product found in Dolichorrhiza persica and Thapsia villosa with data available.
Molecule SMILES: COC1(Cc2ccc(O)cc2)CC=C(O)C1=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: Vidalenolone is a natural product found in Mesua with data available.
Molecule SMILES: COc1c(O)c(CC=C(C)C)c(O)c(-c2coc3cc(O)cc(O)c3c2=O)c1CC=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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 3-[2,4-Dihydroxy-5-methoxy-3,6-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one is a natural product found in Piscidia piscipula with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(O)C1OC1OC(C)C(O)C(OC2OC(C)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Alpha-L-Rhap-(1->3)-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc is an aminotrisaccharide consisting of two rhamnose residues and one N-acetylglucosamine residue in a linear sequence, joined via alpha-linkages. It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
Molecule SMILES: COc1ccc(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)cc1OC

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: Galgravin is a member of the class of aryltetrahydrofurans carrying two 3,4-dimethoxyphenyl substituents at positions 2 and 5 as well as two methyl groups at positions 3 and 4. It has a role as a bone density conservation agent, a neuroprotective agent, a platelet aggregation inhibitor and a plant metabolite. It is an aryltetrahydrofuran, a dimethoxybenzene, a ring assembly and a lignan.
Molecule SMILES: COc1ccc(C2OC(c3ccc(OC)c(OC)c3)C(C)C2C)cc1OC

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: Galgravin is a natural product found in Schisandra propinqua, Piper mullesua, and other organisms with data available.
Molecule SMILES: O=C1NC(=NCc2cccs2)SC1=Cc1ccc2ncccc2c1

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: 5-(6-quinolinylmethylidene)-2-(thiophen-2-ylmethylamino)-4-thiazolone is a member of quinolines.
Molecule SMILES: CC(CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C)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: 6-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoic acid is a natural product found in Homo sapiens with data available.
Molecule SMILES: c1ccc2c(c1)c1cccc3c4c5ccccc5c5cccc(c2c13)c54

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: Rubicene is an ortho- and peri-fused polycyclic arene.
Molecule SMILES: CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(O)C(C)O3)C(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2

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: Avermectin A1a monosaccharide is a glycoside.
Molecule SMILES: COC(=O)NC(C(=O)N1CCCC1c1nc2cc(F)c(C3CCC(c4cc5[nH]c(C6CCCN6C(=O)C(NC(=O)OC)C(C)OC)nc5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)cc2[nH]1)C(C)OC

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: Pibrentasvir is a direct acting antiviral agent and Hepatitis C virus (HCV) NS5A inhibitor that targets the the viral RNA replication and viron assembly. In combination with [DB13879], pibrentastiv is a useful therapy for patients who experienced therapeutic failure from other NS5A inhibitors. In cell cultures, the emergence of amino acid substitutions at known NS5A inhibitor resistance-associated positions in HCV genotype 1a, 2a or 3a replicons led to reduced susceptibility and resistance to pibrentasvir. These resistance-associated amino acid substitutions included Q30D/deletion, Y93D/H/N or H58D +Y93H in genotype 1a replicons, F28S + M31I or P29S + K30G in genotype 2a replicons, and Y93H in genotype 3a replicons. Individual NS5A amino acid substitutions that reduced susceptibility to pibrentasvir include M28G or Q30D in a genotype 1a replicon and P32-deletion in a genotype 1b replicon.   Pibrentasvir is available as an oral combination therapy with [DB13879] under the brand name Mavyret. This fixed-dose combination therapy was FDA-approved in August 2017 to treat adults with chronic hepatitis C virus (HCV) genotypes 1-6 without cirrhosis (liver disease) or with mild cirrhosis, including patients with moderate to severe kidney disease and those who are on dialysis. Mavyret is also indicated for HCV genotype 1-infected patients who have been previously treated with regimens either containing an NS5A inhibitor or an NS3/4A protease inhibitor, but not both. Hepatitis C viral infection often leads to decreased liver function and subsequent liver failure, causing a significantly negative impact on the patients' quality of life. The ultimate goal of the combination treatment is to achieve sustained virologic response (SVR) and cure the patients from the infection. In clinical trials, this combination therapy achieved SVR12 rate, or undetectable Hepatitis C for twelve or more weeks after the end of treatment, of ≥93% across genotypes 1a, 2a, 3a, 4, 5 and 6.
Molecule SMILES: COC(=O)NC(C(=O)N1CCCC1c1nc2cc(F)c(C3CCC(c4cc5[nH]c(C6CCCN6C(=O)C(NC(=O)OC)C(C)OC)nc5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)cc2[nH]1)C(C)OC

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: Pibrentasvir is a Hepatitis C Virus NS5A Inhibitor. The mechanism of action of pibrentasvir is as a P-Glycoprotein Inhibitor, and Breast Cancer Resistance Protein Inhibitor, and Organic Anion Transporting Polypeptide 1B1 Inhibitor, and Organic Anion Transporting Polypeptide 1B3 Inhibitor, and Cytochrome P450 3A Inhibitor, and Cytochrome P450 1A2 Inhibitor, and UGT1A1 Inhibitor.
Molecule SMILES: C=C1C(=O)OC2CC(C)=CCCC(C)=CCCC(C)(O)C(O)CC12

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: (3aR,5R,6S,9E,13E,15aS)-5,6-dihydroxy-6,10,14-trimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one is a natural product found in Sarcophyton crassocaule with data available.
Molecule SMILES: CCC1CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)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: Vinepidine is a vinca alkaloid compound and semi-synthetic vincristine derivative with antineoplastic activity. Vinepidine binds to and stabilizes tubulin, thereby preventing tubulin polymerization and depolymerization, which result in microtubule assembly and disassembly, respectively. Treated cells are unable to complete mitosis process and are arrested in the metaphase, thereby leading to an inhibition of cell growth.
Molecule SMILES: CC1=CCC2(C)CC=C(C(C)(C)O)C2CCC(C)=CCC1

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-[(3aR,9E,12aS)-3a,6,10-trimethyl-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulen-1-yl]propan-2-ol is a natural product found in Eunicea with data available.
Molecule SMILES: CC(CCCCCCCCCC(=O)CC(=O)O)OC1OC(C)C(O)CC1O

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: Bkas#24 is an organic molecular entity.
Molecule SMILES: O=C(Cc1ccc(O)c(O)c1)OCC1OC(OCC(=CCO)CO)C(O)C(OC(=O)Cc2ccc(O)c(O)c2)C1OC(=O)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: <molecule_2d> What do you know about the molecule?

assistant: Hymenoside H is a natural product found in Hymenophyllum barbatum with data available.
Molecule SMILES: Nc1ccn(C2OC(COP(=O)(O)OC3C(COP(=O)(O)OC4C(COP(=O)(O)OC5C(COP(=O)(O)OC6C(COP(=O)(O)OC7C(COP(=O)(O)OC8C(CO)OC(n9cnc%10c(=O)[nH]c(N)nc%109)C8O)OC(n8ccc(=O)[nH]c8=O)C7O)OC(n7cnc8c(=O)[nH]c(N)nc87)C6O)OC(n6cnc7c(N)ncnc76)C5O)OC(n5ccc(N)nc5=O)C4O)OC(n4ccc(N)nc4=O)C3O)C(O)C2O)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> The above is a compound. Could you please tell me something about it?

assistant: 5'-GUGACCC-3' RNA fragment is an RNA fragment comprised of two guanosine, one uridine, one adenosine and three cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-U-G-A-C-C-C.
Molecule SMILES: CCCCCC1CCCCC1

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: Pentylcyclohexane is a natural product found in Chrysanthemum indicum with data available.
Molecule SMILES: O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccco1

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-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester is an aromatic ether.
Molecule SMILES: CNC(C)C1C(O)CC2(C)C3C=CC4C(C)(CO)C(N(C)C)CCC45CC35CCC12C

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-(Dimethylamino)-7-(hydroxymethyl)-7,12,16-trimethyl-15-[1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol is a natural product found in Buxus balearica with data available.
Molecule SMILES: CC(=O)OCC12CCC(C)=CC1OC1C(OC(C)=O)C(OC(C)=O)C2(C)C12CO2

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: Triacetoxyscirpenol is a trichothecene. Trichothecenes are a very large family of chemically related mycotoxins produced by various species of Fusarium, Myrothecium, Trichoderma, Trichothecium, Cephalosporium, Verticimonosporium, and Stachybotrys. The most important structural features causing the biological activities of trichothecenes are: the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain. They are produced on many different grains like wheat, oats or maize by various Fusarium species such as F. graminearum, F. sporotrichioides, F. poae and F. equiseti. Some molds that produce trichothecene mycotoxins, such as Stachybotrys chartarum, can grow in damp indoor environments and may contribute to health problems among building occupants. (L1948)
Molecule SMILES: CCCCCCC(CC=C(CCCCCCCC(=O)O)[N+](=O)[O-])SCC(N)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: Tell me something about this molecule: <molecule_2d>

assistant: 12-cys-9-nitro-octadecenoic acid is a long-chain fatty acid.
Molecule SMILES: CC(=O)OC1(C)CCC(=O)C(C)=CC2OC1C1C(C(C)C)CCC(C)(OC(C)=O)C21

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: palmonine E is a natural product found in Eunicella verrucosa with data available.
Molecule SMILES: COc1ccc(CC2c3cc4c(cc3CCN2C)OCO4)c(C=O)c1OC

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: Canadaline is a member of isoquinolines. It has a role as a metabolite.
Molecule SMILES: COc1ccc(CC2c3cc4c(cc3CCN2C)OCO4)c(C=O)c1OC

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: Canadaline is a natural product found in Hydrastis canadensis with data available.
Molecule SMILES: CCC(C)CCCCCCC(=O)c1cnc[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: Bulbimidazole A is a natural product found in Microbulbifer with data available.
Molecule SMILES: C=C(C)C(=O)N(C)C(C)C(=O)OC1CC(=O)N(C)c2cc(cc(OC)c2Cl)C(OC)C(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C

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: [(1S,2R,3S,5S,6S,15R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,15,20-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(2-methylprop-2-enoyl)amino]propanoate is a natural product found in Mallotus nudiflorus with data available.
Molecule SMILES: C=CC(C)(O)CCC1C(C)(OC2OCC(O)C(O)C2O)CCC2C(C)(CO)C(O)CCC12C

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-[[6-hydroxy-5-(hydroxymethyl)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy]oxane-3,4,5-triol is a natural product found in Aquilegia viridiflora with data available.
Molecule SMILES: Oc1ccc(Cl)c(Cl)c1Cl

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: 2,3,4-trichlorophenol appears as needles (from benzene and ligroin) or light peach solid. (NTP, 1992)
Molecule SMILES: O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(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: [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate is a natural product found in Buddleja crispa with data available.
Molecule SMILES: CCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCCCCCC

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: PS(P-16:0/13:0) is a phosphatidylserine P-29:0.
Molecule SMILES: CC=C(C)C(=O)OC1c2c(C)coc2CC2CCC(OC(=O)C=C(C)C)C(C)C21C

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: [(4S,4aS,5R,6S,8aR)-3,4a,5-trimethyl-6-(3-methylbut-2-enoyloxy)-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate is a natural product found in Gynoxys buxifolia with data available.
Molecule SMILES: C=CC(C)(C)c1[nH]c2ccccc2c1C=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: 2-(2-methyl-3-en-2-yl)-1H-indole-3-carbaldehyde is a natural product found in Aspergillus chevalieri with data available.
Molecule SMILES: CC(=O)OC1C(OC(=O)c2ccccc2)CC(C)C23CC(CC(OC(=O)C4OC4c4ccccc4)C12C)C(C)(C)O3

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,2R,4S,5R,6R,7S,9R)-5-acetyloxy-4-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] (2S,3R)-3-phenyloxirane-2-carboxylate is a natural product found in Celastrus gemmatus with data available.
Molecule SMILES: CC1C(=O)N2c3ccccc3C3(CC(n4cnc5ccccc5c4=O)C(=O)O3)C2N1O

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: (2S,3'R,3aS,4S)-3-hydroxy-2-methyl-3'-(4-oxoquinazolin-3-yl)spiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione is a natural product found in Neosartorya with data available.
Molecule SMILES: CC(C)NCC(O)c1ccc2ccccc2c1.Cl

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: Pronetalol hydrochloride is an organic molecular entity.
Molecule SMILES: CC(C)NC(=O)N(C)CC1OCCCCC(C)Oc2ccc(NC(=O)c3ccncc3)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: <molecule_2d> What do you know about the molecule?

assistant: N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: C=C1C2CCC3(C)C(c4ccoc4)OC(=O)CC13OC1CC(=O)C(C)(C)C(C(O)C(=O)OC)C12C

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: Methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate is a limonoid.
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2cc(C3=CCCCC3)cnc2OC1CN(C)Cc1ccccc1

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: (2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one is an aromatic amine.
Molecule SMILES: CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)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: RO-5045337 is under investigation in clinical trial NCT01164033 (A Study of RO5045337 in Patients With Solid Tumors).
Molecule SMILES: CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=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 give me a brief overview of this molecule <molecule_2d> ?

assistant: MDM2 Antagonist RO5045337 is an MDM2 (human homolog of double minutes-2; HDM2) antagonist with potential antineoplastic activity. RO5045337 binds to MDM2, thereby preventing the binding of the MDM2 protein to the transcriptional activation domain of the tumor suppressor protein p53. By preventing this MDM2-p53 interaction, the proteasome-mediated enzymatic degradation of p53 is inhibited and the transcriptional activity of p53 is restored, which may result in the restoration of p53 signaling and thus the p53-mediated induction of tumor cell apoptosis. MDM2, a zinc finger protein, is a negative regulator of the p53 pathway; often overexpressed in cancer cells, it has been implicated in cancer cell proliferation and survival.
Molecule SMILES: [Lu]

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: Lutetium atom is a lanthanoid atom and a d-block element atom.
Molecule SMILES: CCCCCCCCC=CCCCCCCCC(=O)CC(=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: Describe this molecule: <molecule_2d> .

assistant: (11Z)-3-oxoicosa-11-enoyl-CoA(4-) is a 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 3-oxo-(11Z)-eicosa-11-enoyl-CoA. It is a conjugate base of an (11Z)-3-oxoicosa-11-enoyl-CoA.
Molecule SMILES: CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1CC(C2CCCCC2)CC1C(=O)O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Fosinopril is an angiotensin-converting enzyme (ACE) inhibitor used in the therapy of hypertension and heart failure. Fosinopril is associated with a low rate of transient serum aminotransferase elevations during therapy and has been linked to rare instances of acute liver injury.