IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: C=CC1(C)CCC2C(C)(OC3CC(OC(C)=O)C(C)(C)C(CC(=O)O)C32C)O1

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-[(2S,4aS,4bR,5R,7S,8aR,9aS)-7-acetyloxy-2-ethenyl-2,4b,6,6,9a-pentamethyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[2,3-b][1]benzofuran-5-yl]acetic acid is a natural product found in Leiocarpa semicalva with data available.
Molecule SMILES: C=CC(C)c1ccc2cc(OC)ccc2c1

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: Naphthalene, 6-methoxy-2-(1-buten-3-yl)- is a natural product found in Curcuma amada with data available.
Molecule SMILES: CC(O)C(Cl)C=C1C(=O)OC(C)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: Chlorocarolide A is a natural product found in Aspergillus ochraceus with data available.
Molecule SMILES: Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)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> What do you know about the molecule?

assistant: Ilorasertib has been used in trials studying the treatment of Myelodysplasia, Solid Neoplasm, Advanced Cancers, Advanced Solid Tumors, and Acute Myelogenous Leukemia, among others.
Molecule SMILES: Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

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: Ilorasertib is an orally bioavailable, adenosine triphospate mimetic, and inhibitor of Aurora kinases, vascular endothelial growth factor receptors (VEGFRs) and platelet-derived growth factor receptor (PDGFRs), with potential antineoplastic activity. Upon administration, ilorasertib selectively binds to and inhibits Aurora kinases A, B and C, which may disrupt both the assembly of the mitotic spindle apparatus and chromosome segregation, and inhibit both cellular division and proliferation in Aurora kinase-overexpressing tumor cells. In addition, ilorasertib selectively binds to and inhibits VEGFRs and PDGFRs, which may result in the inhibition of both angiogenesis and tumor cell proliferation in VEGFR/PDGFR-overexpressing tumor cells. This agent also inhibits the Src family of cytoplasmic tyrosine kinases. Aurora kinases A, B and C, are serine/threonine kinases that play essential roles in mitotic checkpoint control and are overexpressed by a wide variety of tumor cell types. Both VEGFRs and PDGFRs are receptor tyrosine kinase families whose members may be upregulated in various tumor cell types.
Molecule SMILES: COC1Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21

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: (6R)-3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-6H-pyrano[4,3-c]isochromen-1-one is a natural product found in Hymenochaete xerantica with data available.
Molecule SMILES: COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc(O)c2c(=O)cc(-c3ccccc3)oc12

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: Wogonin 7-O-beta-D-glucuronide is the glycosyloxyflavone which is the 7-O-glucuronide of wogonin. It is a glycosyloxyflavone, a monomethoxyflavone, a monohydroxyflavone, a monosaccharide derivative and a beta-D-glucosiduronic acid. It is functionally related to a wogonin. It is a conjugate acid of a wogonin 7-O-beta-D-glucuronate.
Molecule SMILES: COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc(O)c2c(=O)cc(-c3ccccc3)oc12

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: Oroxindin is a natural product found in Scutellaria discolor, Scutellaria indica, and other organisms with data available.
Molecule SMILES: C=C(C)C1CC2OC23C(=CC(=O)C2(C)C(C(C)=CC4CC(C)C(=O)O4)CC(O)C23C)C1(C)CCC(=O)OC

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: methyl 3-[(1R,2S,3S,5R,6R,10S,11S,13R)-3-hydroxy-2,6,10-trimethyl-5-[(E)-1-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-prop-1-en-2-yl-14-oxatetracyclo[7.5.0.01,13.02,6]tetradec-8-en-10-yl]propanoate is a natural product found in Ganoderma gibbosum with data available.
Molecule SMILES: CC(C)C(CCO)CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C

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,3R,4S,5S,6R)-2-[[(3S,8S,9R,10R,13S,14S,17S)-17-[(2R,5S)-5-(2-hydroxyethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Agave amica with data available.
Molecule SMILES: O=CC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CO

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

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

assistant: 3alpha-galactobiose is an O-acyl carbohydrate.
Molecule SMILES: CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC

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: 1,2-dihexanoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 12:0 in which both acyl groups are specified as hexanoyl. It has a role as a surfactant. It is functionally related to a hexanoic acid.
Molecule SMILES: C=CC(C)(CCC=C(C)C)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 description of this molecule <molecule_2d> .

assistant: 2,6-Dimethyl-2-vinyl-5-heptenoic acid is a natural product found in Plectranthus glabratus and Litsea glaucescens with data available.
Molecule SMILES: Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1

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: Desloratadine is loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. It has a role as a H1-receptor antagonist, an anti-allergic agent, a cholinergic antagonist and a drug metabolite.
Molecule SMILES: Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1

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: Desloratadine is a second generation, tricyclic antihistamine that which has a selective and peripheral H1-antagonist action. It is the active descarboethoxy metabolite of loratidine (a second generation histamine). Desloratidine has a long-lasting effect and does not cause drowsiness because it does not readily enter the central nervous system.
Molecule SMILES: Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1

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: Desloratadine is a Histamine-1 Receptor Antagonist. The mechanism of action of desloratadine is as a Histamine H1 Receptor Antagonist.
Molecule SMILES: Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1

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: Desloratadine is a long-acting piperidine derivate with selective H1 antihistaminergic and non-sedating properties. Desloratadine diminishes the typical histaminergic effects on H1-receptors in bronchial smooth muscle, capillaries and gastrointestinal smooth muscle, including vasodilation, bronchoconstriction, increased vascular permeability, pain, itching and spasmodic contractions of gastrointestinal smooth muscle. Desloratadine is used to provide symptomatic relieve of allergic symptoms.
Molecule SMILES: Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1

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: Desloratadine is a natural product found in Bos taurus with data available.
Molecule SMILES: CC(C=CCC(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C

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: Cycloart-22-ene-3,25-diol is a natural product found in Euphorbia aleppica with data available.
Molecule SMILES: CC(=O)OCC1OC(Oc2c(C)occc2=O)C(OC(C)=O)C(OC(C)=O)C1OC(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: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methyl acetate is a natural product found in Petrorhagia prolifera with data available.
Molecule SMILES: COc1cc(C2OCC3C(c4cc(OC)c5c(c4)OCO5)OCC23)cc(OC)c1OC

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: EpisesarteminA is a natural product found in Peperomia obtusifolia and Artemisia absinthium with data available.
Molecule SMILES: C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)SCCCC(C)(C)O)CC(O)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> The above is a compound. Could you please tell me something about it?

assistant: 1alpha,25-dihydroxy-24a-homo-22-thiavitamin D3 / 1alpha,25-dihydroxy-24a-homo-22-thiacholecalciferol is a vitamin D.
Molecule SMILES: C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2

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: 3-hydroxy-2-phenylpropanoic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester is a tropane alkaloid.
Molecule SMILES: CCCC1CC(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O1

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: Solanamide A is a natural product found in Photobacterium with data available.
Molecule SMILES: CC1C=CC2CC(CO)CC(C)C2C1C=CC=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> The above is a compound. Could you please tell me something about it?

assistant: Tanzawaic acid M is a natural product found in Penicillium with data available.
Molecule SMILES: CN1CCc2ccccc2C1

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-Methyl-1,2,3,4-tetrahydroisoquinoline is a natural product found in Nelumbo nucifera with data available.
Molecule SMILES: CCCCCCCCC(=O)OC(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: Isopropyl nonanoate is a fatty acid ester.
Molecule SMILES: COC(=O)CC1CCC2NCC(O)COCC2O1

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-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester is a member of oxanes.
Molecule SMILES: Oc1cc(O)c(Oc2cc(O)c(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(O)c(Oc4cc(O)c(O)c(O)c4)c3)c2)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: Describe this molecule: <molecule_2d> .

assistant: Pseudopentafuhalol A is a natural product found in Sargassum spinuligerum with data available.
Molecule SMILES: CC(C)=CCCC(C)=CCn1c2cc3c(-c4ccccc4)c(=O)oc3cc2nc2c(C(=O)O)cccc21

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: Benthocyanin A is a natural product found in Streptomyces prunicolor with data available.
Molecule SMILES: COc1cc(C(OC(=O)C(C)(O)C(C)OC(=O)C=C(C)C)C(C)OC(=O)C2(C)OC2C)cc2c1OCO2

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)-1-[(3R)-2-hydroxy-2-methyl-3-(3-methylbut-2-enoyloxy)butanoyl]oxy-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl] 2,3-dimethyloxirane-2-carboxylate is a natural product found in Daucus carota and Daucus littoralis with data available.
Molecule SMILES: NC(CCC(=O)N(CC(=O)O)C(=O)C(N)CSS(=O)(=O)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: Describe this molecule: <molecule_2d> .

assistant: Glutathione sulfonate is a S-substituted glutathione, a L-cysteine derivative and a tripeptide.
Molecule SMILES: CC=C(C)C(=O)CC1C(C)(O)CCC2(O)C(C)(C)CCC(O)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: (13E)-1alpha,5,8-Trihydroxylabd-13-en-12-one is a natural product found in Scapania undulata with data available.
Molecule SMILES: Cc1c2c3c(c(O)cc(C)c3oc1=O)C(C)CO2

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: Mansorin I is a natural product found in Mansonia gagei with data available.
Molecule SMILES: O=C1c2cc(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)c(CO)c(O)c2C(=O)c2ccc(O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 1,5,6-trihydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione is a natural product found in Morinda citrifolia with data available.
Molecule SMILES: CCCCc1ccco1

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

user: Please give me some details about this molecule <molecule_2d> .

assistant: 2-butylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a butyl group. It is a constituent found in several plant species and some cooked foods. It has a role as a human metabolite, a plant metabolite and a flavouring agent.
Molecule SMILES: CCCCc1ccco1

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-Butylfuran is a natural product found in Chrysopogon zizanioides with data available.
Molecule SMILES: Brc1cc(Br)cc(-c2cc(Br)c(Br)cc2Br)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: 2,3',4,5,5'-Pentabromobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are a group of 209 synthetic organic compounds with 1-10 bromine atoms attached to biphenyl. They can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)
Molecule SMILES: Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc2c(c1O)C1c3c(cc(O)c4c3OC(c3ccc(O)c(O)c3)C(O)C4c3c(O)cc(O)c4c3OC(c3ccc(O)c(O)c3)C(O)C4)OC(c3ccc(O)c(O)c3)(O2)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: (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-18-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol is a natural product found in Cinnamomum burmanni, Cinnamomum sieboldii, and other organisms with data available.
Molecule SMILES: CC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CCC4CC(O)CC(OC5OC(CO)C(O)C(O)C5O)C4(C)C3CCC21C

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: (2S,3S,4R,5R,6S)-2-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Ornithogalum thyrsoides with data available.
Molecule SMILES: CC(CCCCC(Cl)CCCC(Cl)Cl)C(OC(N)=O)c1cc(O)c(C(CCCCC(C)C(OC(N)=O)c2cc(O)cc(O)c2)CCCC(Cl)Cl)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Carbamidocylindrofridin A is a natural product found in Cylindrospermum stagnale with data available.
Molecule SMILES: C=C(CO)C1CCC2(C)CC(O)C3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12

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: (1R,3aR,5S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5-hydroxy-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one is a natural product found in Euonymus carnosus with data available.
Molecule SMILES: COC1C(O)C(C)OC2OC3CC4CCC5C(C(=O)C(O)C6(C)C(C7=CC(=O)OC7)CCC56O)C4(C)CC3OC21O

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: (1R,3R,5S,7R,8S,9R,10S,12R,14S,15S,17S,18S,19S,22S,23R)-8,10,17,22-tetrahydroxy-9-methoxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-16-one is a natural product found in Anodendron affine with data available.
Molecule SMILES: O=C1C=C2CCC(OC3OC(CO)C(O)C(O)C3O)CC2O1

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: (6S,7aR)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one is a natural product found in Glochidion zeylanicum with data available.
Molecule SMILES: C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21

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: Entecavir is a guanosine nucleoside analogue used in the treatment of chronic hepatitis B virus (HBV) infection. Entecavir therapy can be associated with flares of the underlying hepatitis B during or after therapy, but has not been linked to cases of clinically apparent liver injury.
Molecule SMILES: C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21

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: Entecavir is an oral antiviral drug used in the treatment of hepatitis B infection. It is marketed under the trade name Baraclude (BMS).  Entecavir is a guanine analogue that inhibits all three steps in the viral replication process, and the manufacturer claims that it is more efficacious than previous agents used to treat hepatitis B (lamivudine and adefovir). It was approved by the U.S. Food and Drug Administration (FDA) in March 2005.
Molecule SMILES: C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21

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: Entecavir anhydrous is a Hepatitis B Virus Nucleoside Analog Reverse Transcriptase Inhibitor. The mechanism of action of entecavir anhydrous is as a Nucleoside Reverse Transcriptase Inhibitor.
Molecule SMILES: C=C1C(CO)C(O)CC1n1cnc2c(=O)[nH]c(N)nc21

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: Entecavir (anhydrous) is guanine substituted at the 9 position by a 4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl group. A synthetic analogue of 2'-deoxyguanosine, it is a nucleoside reverse transcriptase inhibitor with selective antiviral activity against hepatitis B virus. Entecavir is phosphorylated intracellularly to the active triphosphate form, which competes with deoxyguanosine triphosphate, the natural substrate of hepatitis B virus reverse transcriptase, inhibiting every stage of the enzyme's activity, although it has no activity against HIV. It is used for the treatment of chronic hepatitis B. It has a role as an EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor and an antiviral drug. It is a member of 2-aminopurines, an oxopurine, a primary alcohol and a secondary alcohol.