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

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: Cesium chromate is a chemical compound of caesium and hexavalent chromium. It is used in creating vacuum tubes. Hexavalent chromium refers to chemical compounds that contain the element chromium in the +6 oxidation state. Chromium(VI) is more toxic than other oxidation states of the chromium atom because of its greater ability to enter cells and higher redox potential. (L16, L18)
Molecule SMILES: CCCNC(=O)N1CCC2(CC1)CN(Cc1ccccn1)C(CO)c1c2c2ccc(OC)cc2n1C

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)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-(2-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide is a harmala alkaloid.
Molecule SMILES: CC1OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=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: <molecule_2d> What do you know about the molecule?

assistant: 3'-epi-K252d is a natural product found in Streptomyces with data available.
Molecule SMILES: CC=CC=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: (2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid is a monocarboxylic acid that is (2Z,4E)-hexa-2,4-dienoic acid in which the hydrogen at position 2 is replaced by a hydroxy group. It is an enol and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a (2Z,4Z)-2-hydroxyhexa-2,4-dienoate.
Molecule SMILES: C=C(CO)COC(=O)C(C)(O)CC1CCC(O)C2(C=C(C)CC(C(C)C=CC3CCC4(CCC5OC(C(O)CC(C)C6OC7(CCCCO7)CCC6C)C(=C)C(O)C5O4)O3)O2)O1

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

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

assistant: 2-(hydroxymethyl)prop-2-enyl (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'S,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoate is a natural product found in Prorocentrum lima with data available.
Molecule SMILES: COC(=O)C(c1ccccc1)C1CCCC[NH2+]1.[Cl-]

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: Methylphenidate hydrochloride is a hydrochloride. It has a role as a central nervous system stimulant. It contains a methylphenidate(1+).
Molecule SMILES: CCCCCC=CC(=O)C=CCCCCCCCC(=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: (9E,12E)-11-Oxo-9,12-octadecadienoic acid is a natural product found in Trichoderma with data available.
Molecule SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC(O)CO

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: 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) is a conjugate base of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol). It is a conjugate base of a 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol).
Molecule SMILES: C=CC(C)(C)c1[nH]c2c(CC(O)C(C)(C)O)cccc2c1CC1NC(=O)C(C)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: (3S,6S)-3-[[7-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione is a natural product found in Aspergillus ruber with data available.
Molecule SMILES: CC(C)=CCc1cc(C(=O)CO)ccc1O

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: Terreprenphenol A is a natural product found in Aspergillus terreus with data available.
Molecule SMILES: Cc1sc2ncnc(NCC(C)(C)N3CCOCC3)c2c1C

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: 5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamine is an organonitrogen heterocyclic compound, an organic heterobicyclic compound, an organosulfur heterocyclic compound and a thienopyrimidine.
Molecule SMILES: COC1C(O)C(O)C2OC1(O)CCC(=O)OC(c1ccccc1)C(O)C(C)CC2C

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: Phoxalone is a natural product found in Sorangium cellulosum with data available.
Molecule SMILES: COC(=O)C1(CCC2=CC(=O)OC2O)C(C)CCC2C(C)=CC(=O)CC21

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 (1R,2R,4aS,8aS)-1-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-2,5-dimethyl-7-oxo-2,3,4,4a,8,8a-hexahydronaphthalene-1-carboxylate is a natural product found in Croton schiedeanus with data available.
Molecule SMILES: Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)CC1CN2

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: 5,10-methylenetetrahydrofolate heptaglutamate is a macromolecule consisting of (6R)-5,10-methylenetetrahydrofolic acid with an arbitrary number of glutamic acid residues attached as a polypeptide to the single existent one. It is functionally related to a (6R)-5,10-methylenetetrahydrofolic acid.
Molecule SMILES: C=C1CCC2C(C)C(=O)OC2C2C1CCC2(C)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: Compressanolide is a natural product found in Magnolia compressa with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)Cc2cc(NC(=O)Cn3cnnn3)ccc2OC1CN(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: N-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide is an aromatic amide.
Molecule SMILES: COc1cc(O)c2c(=O)c(-c3cc(OC)c(OC)c(OC4OC(COC5OC(CO)C(O)C5O)C(O)C(O)C4O)c3)coc2c1

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-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dimethoxyphenyl]-5-hydroxy-7-methoxychromen-4-one is a natural product found in Ceiba pentandra with data available.
Molecule SMILES: O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)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: <molecule_2d> What do you know about the molecule?

assistant: Avatrombopag (Doptelet), is an orally administered, small-molecule thrombopoietin receptor (c-Mpl) agonist which increases platelet number, but not platelet activation,.  This decreases the need for blood transfusions.   Patients with thrombocytopenia and chronic liver disease (leading to thrombocytopenia) often require platelet transfusions before surgical procedures to decrease the risk of bleeding. Thrombocytopenia (or decreased numbers of platelets) is a common complication in patients suffering from chronic liver disease, either as an immediate result of liver disease or a consequence of interferon-based antiviral therapy.    Avatrombopag was approved by the FDA on May 21, 2018 for thrombocytopenia (low platelets) in adults with chronic liver disease who are scheduled to undergo a procedure. It is administered orally as avatrombopag maleate, its salt form.    Doptelet (Avatrombopag) is the first orally administered treatment option for patients with chronic liver disease,  allowing a large population of patients to avoid a platelet transfusion before a procedure by increasing platelet counts to the optimal level of greater or equal to 50,000 per microliter.
Molecule SMILES: O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Avatrombopag is an orally available platelet thrombopoietin receptor (TPOR; MPL) agonist, with potential megakaryopoiesis stimulating activity. Upon administration, avatrombopag binds to and stimulates TPOR, which may lead to the proliferation and differentiation of megakaryocytes from bone marrow progenitor cells. This increases the production of platelets and may prevent chemotherapy-induced thrombocytopenia (CIT). TPOR is a cytokine receptor and member of the hematopoietin receptor superfamily.
Molecule SMILES: CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1

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: 1-(4-nitrophenyl)-1-cyclopentanecarboxylic acid 2-(diethylamino)ethyl ester is a C-nitro compound.
Molecule SMILES: CC1OC(OC2C(O)C(CO)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)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: Polyscioside H is a natural product found in Polyscias fruticosa with data available.
Molecule SMILES: CC(C)C#Cc1ccc2c(c1)OC(CN(C)C)C(C)CN(C(C)CO)S2(=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: (2R)-2-[(4S,5S)-5-[(dimethylamino)methyl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol is an aromatic ether.
Molecule SMILES: C=C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

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: Japonoside B is a natural product found in Eleutherococcus japonicus and Panax japonicus with data available.
Molecule SMILES: Nc1[nH]c(=O)nc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

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: 2-hydroxy-dATP is a purine 2'-deoxyribonucleoside 5'-triphosphate in which the 2'-deoxyribonucleoside moiety is 2'-deoxy-2-hydroxyadenosine. It is a conjugate acid of a 2-hydroxy-dATP(3-).
Molecule SMILES: C=C1C2CCC3C4(C)CC(OC5OC(CO)C(OC6OC(=O)C(=O)C6(O)CO)C(O)(C(=O)O)C5OC(=O)CC(C)C)CC(C(=O)O)C4CCC3(C2)C1O

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

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

assistant: Parquin is a natural product found in Cestrum parqui with data available.
Molecule SMILES: CC([NH3+])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: Provide a brief overview of this molecule <molecule_2d> .

assistant: D-alaninium is an alaninium that is the conjugate acid of D-alanine. It has a role as a human metabolite. It is a conjugate acid of a D-alanine. It is an enantiomer of a L-alaninium.
Molecule SMILES: CC(O)CCCCCCCCCC(=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: 11-hydroxylauric acid is a medium-chain fatty acid that is lauric acid substituted at position 11 by a hydroxy group. It has a role as a metabolite. It is a medium-chain fatty acid and an (omega-1)-hydroxy fatty acid. It is functionally related to a dodecanoic acid. It is a conjugate acid of an 11-hydroxylaurate.
Molecule SMILES: CC=C(C)C(=O)C1=C2C3=CN(CC=C(C)CCC=C(C)C)C(C=CC(C)CC)=CC3=C(Cl)C(=O)C2(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: N-(3,7-dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin E is a natural product found in Chaetomium globosum with data available.
Molecule SMILES: CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)CC(=O)C=C3C12C

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: Desfuranoazadiradione is a limonoid that is azadiradione in which the furanyl group at position 17 is replaced by a hydrogen. It has been isolated from Azadirachta indica. It has a role as a metabolite and a plant metabolite. It is an acetate ester, a cyclic terpene ketone, a limonoid and a tetracyclic triterpenoid. It is functionally related to an azadiradione.
Molecule SMILES: CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)CC(=O)C=C3C12C

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: Desfuranoazadiradione is a natural product found in Azadirachta indica with data available.
Molecule SMILES: CC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CCC(N)=O)NC(=O)CNC(=O)C2CCCN2C1=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: Cycloreticulin C is a natural product found in Annona reticulata with data available.
Molecule SMILES: O=C(O)C1C(CO)C2Cn3c(ccc(C=Cc4ccccc4)c3=O)C2N1Cc1ccc2c(c1)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 provide a description of this molecule <molecule_2d> ?

assistant: LSM-12459 is a D-alpha-amino acid.
Molecule SMILES: CCCC(=O)NC(CC(=O)O)C(=O)NC1C(=O)NC(Cc2ccc(O)cc2)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)OC1C

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: Cyanopeptolin CP985 is a natural product found in Nostoc edaphicum with data available.
Molecule SMILES: CC(C#CC1=C(Cl)C(=O)C(=O)C(Cl)=C1O)=CCl

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: (E)-2,5-Dichloro-3-(4-chloro-3-methyl-3-buten-1-ynyl)-6-hydroxy-2,5-cyclohexadiene-1,4-dione is a natural product found in Mycena with data available.
Molecule SMILES: COC1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OCC(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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: N-[(5S,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: CC=Cc1ccc2n(c1=O)CC1C(CO)C(C(=O)NC(C)c3ccccc3)N(C(=O)c3cnccn3)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: LSM-14607 is an amino acid amide.
Molecule SMILES: Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl

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: Orphenadrine hydrochloride appears as odorless white or almost white crystalline powder. pH (aqueous solution) about 5.5. Bitter numbing taste. (NTP, 1992)
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C(O)C(OC(=O)C=Cc2ccc(O)cc2)C1O

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

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

assistant: [3,5-Dihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate is a natural product found in Cnidoscolus texanus with data available.
Molecule SMILES: NCCCC(=O)O

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

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

assistant: Gamma-aminobutyric acid is a gamma-amino acid that is butanoic acid with the amino substituent located at C-4. It has a role as a signalling molecule, a human metabolite, a Saccharomyces cerevisiae metabolite and a neurotransmitter. It is a gamma-amino acid and a monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a gamma-aminobutyrate. It is a tautomer of a gamma-aminobutyric acid zwitterion.
Molecule SMILES: NCCCC(=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: The most common inhibitory neurotransmitter in the central nervous system.
Molecule SMILES: NCCCC(=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: Gamma-Aminobutyric Acid is a naturally occurring neurotransmitter with central nervous system (CNS) inhibitory activity. Gamma-aminobutyric acid (GABA), converted from the principal excitatory neurotransmitter glutamate in the brain, plays a role in regulating neuronal excitability by binding to its receptors, GABA-A and GABA-B, and thereby causing ion channel opening, hyperpolarization and eventually inhibition of neurotransmission.
Molecule SMILES: NCCCC(=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: gamma-Aminobutyric acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: Cc1c(O)cc(C(=O)O)c(C=O)c1O

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

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

assistant: 2-Formyl-3,5-dihydroxy-4-methylbenzoic acid is a natural product found in Talaromyces ruber and Talaromyces flavus with data available.
Molecule SMILES: Cc1csc2c(=O)[nH]cnc12

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: 7-Methyl-3,4-dihydrothieno[3,2-d]pyrimidin-4-one is an organosulfur heterocyclic compound, an organonitrogen heterocyclic compound and an organic heterobicyclic compound.
Molecule SMILES: CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=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: Barasertib has been used in trials studying the treatment of Tumors, Lymphoma, Solid Tumors, Solid Tumours, and Myeloid Leukemia, among others.
Molecule SMILES: CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: AZT-1152 is a dihydrogen phosphate prodrug of a pyrazoloquinazoline aurora kinase inhibitor AZD1152-hydroxyquinazoline pyrazol anilide(HQPA) and is converted rapidly to the active AZD1152-HQPA in plasma. It has a role as a prodrug, an antineoplastic agent and an Aurora kinase inhibitor. It is a member of quinazolines, a monoalkyl phosphate, an anilide, a member of monofluorobenzenes, a member of pyrazoles, a secondary amino compound, a secondary carboxamide and a tertiary amino compound. It is functionally related to an AZD-1152.
Molecule SMILES: CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=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: Barasertib is an orally bioavailable, small-molecule, dihydrogen phosphate prodrug of the pyrazoloquinazoline Aurora kinase inhibitor AZD1152-hydroxyquinazoline pyrazol anilide (AZD1152-HQPA) with potential antineoplastic activity. Upon administration and rapid conversion from the prodrug form in plasma, AZD1152-HQPA specifically binds to and inhibits Aurora kinase B, which results in the disruption of spindle checkpoint functions and chromosome alignment and, so, the disruption of chromosome segregation and cytokinesis. Consequently, cell division and cell proliferation are inhibited and apoptosis is induced in Aurora kinase B-overexpressing tumor cells. Aurora kinase B, a serine/threonine protein kinase that functions in the attachment of the mitotic spindle to the centromere, is overexpressed in a wide variety of cancer cell types.
Molecule SMILES: CC1CCCCOC(CN(C)Cc2ccc3c(c2)OCO3)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O1

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-[(3R,9S,10S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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]cyclohexanecarboxamide is a lactam and an azamacrocycle.