IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C(O)c1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O

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

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: 1-(2-Deoxy-alpha-D-erythro-pentofuranosyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid is a pyrimidine 2'-deoxyribonucleoside.
Molecule SMILES: CC1CN(C(C)CO)S(=O)(=O)c2ccc(C#Cc3ccccn3)cc2OC1CN(C)C

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: (2S)-2-[(4R,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol is an aromatic ether.
Molecule SMILES: COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O

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

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Emodin 6,8-dimethyl ether is a natural product found in Ventilago denticulata and Senna didymobotrya with data available.
Molecule SMILES: CC(C)(S)C(=O)NC(CS)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: Bucillamine is an organic molecular entity.
Molecule SMILES: CC(C)(S)C(=O)NC(CS)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: Bucillamine has been used in trials studying the treatment and prevention of Gout and Rheumatoid Arthritis.
Molecule SMILES: CC(C)(S)C(=O)NC(CS)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: Bucillamine is an orally bioavailable derivative of the endogenous amino acid cysteine with two donatable thiol groups, with potential antioxidant and anti-inflammatory activities. Upon oral administration, bucillamine enters cells rapidly via the same pathway as cysteine and replenishes the thiol group in glutathione (GSH), thereby increasing intracellular GSH levels and GSH activity. GSH is an antioxidant and plays an important protective role in oxidative stress and injury. Bucillamine may have additional anti-inflammatory effects, though the mechanisms of action have yet to be fully elucidated.
Molecule SMILES: COC(=O)NCc1ccc(OC2OC(C)C(OC(C)=O)C(O)C2O)cc1

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

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

assistant: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[4-[(methoxycarbonylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate is a natural product found in Moringa oleifera with data available.
Molecule SMILES: CCCCC1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: isariin C2 is a natural product found in Isaria with data available.
Molecule SMILES: COc1c(CC=C(C)C)c(O)c2c(c1CC=C(C)C)OC(c1ccc(O)c(O)c1)CC2=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: (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one is a natural product found in Paramignya scandens and Amorpha fruticosa with data available.
Molecule SMILES: CC(=O)CC1OC(Oc2c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc3cc(OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc(OC(C)=O)c3c2=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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [4,5-Diacetyloxy-6-[5-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxo-3-[3,4,5-triacetyloxy-6-(2-oxopropyl)oxan-2-yl]oxychromen-7-yl]oxy-2-methyloxan-3-yl] acetate is a natural product found in Staphisagria macrosperma with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(COP(=O)(O)OC2OC(COP(=O)(O)OC3OC(CO)C(O)C(O)C3NC(C)=O)C(O)C(O)C2NC(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 brief overview of this molecule <molecule_2d> .

assistant: Alpha-D-ManpNAc-(1-P-6)-alpha-D-ManpNAc-(1-P-6)-alpha-D-ManpNAc is a phosphate-linked oligosaccharide analogue consisting of three N-acetyl-alpha-D-mannosamine units joined by (1->6)-phosphodiester linkages.
Molecule SMILES: O=C(C=Cc1ccc(O)cc1)OC1C(Oc2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)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: <molecule_2d> What do you know about the molecule?

assistant: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate is a natural product found in Tinospora crispa with data available.
Molecule SMILES: COC(=O)c1cc(O)c(O)c(CC=C(C)C)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: Methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate is a benzoate ester that is methyl benzoate substituted by hydroxy groups at positions 3 and 4 and a prenyl group at position 5. Isolated from Piper glabratum and Piper acutifolium, it exhibits antileishmanial activity. It has a role as a metabolite and an antileishmanial agent. It is a benzoate ester, a member of catechols and a methyl ester.
Molecule SMILES: COC(=O)c1cc(O)c(O)c(CC=C(C)C)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: Methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate is a natural product found in Piper glabratum with data available.
Molecule SMILES: CC1CCC2(OC1)OC1CC3C4C(O)C=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

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: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,20R)-20-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is a natural product found in Sansevieria ehrenbergii with data available.
Molecule SMILES: O=C([O-])C(O)C(O)C(O)COP(=O)([O-])[O-]

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

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 5-phospho-L-arabinonate(3-) is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of 5-phospho-L-arabinonic acid. Major microspecies at pH 7.3. It is a 4-hydroxy monocarboxylic acid anion and an organophosphate oxoanion. It is a conjugate base of a 5-phospho-L-arabinonic acid.
Molecule SMILES: CC(=CCNc1ncnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O)CO

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: 9-ribosyl-trans-zeatin 5'-phosphate(2-) is a organophosphate oxoanion that is that is AMP(2-) substituted at position N-6 by a (2E)-4-hydroxy-3-methylbut-2-en-1-yl group; major species at pH 7.3. It is functionally related to an adenosine 5'-monophosphate(2-). It is a conjugate base of a 9-ribosyl-trans-zeatin 5'-monophosphate.
Molecule SMILES: CC=C(C)C(=O)NC(CCC(N)=O)C(=O)NC1C(=O)NC(CCC(=O)NCCO)C(=O)NC2CCC(O)N(C2=O)C(Cc2ccccc2)C(=O)N(C)C(Cc2ccc(O)cc2)C(=O)NC(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (2S)-N-[(2R,5R,8S,11R,12R,15R,18R,21S)-2-benzyl-21-hydroxy-15-[3-(2-hydroxyethylamino)-3-oxopropyl]-5-[(4-hydroxyphenyl)methyl]-4,8,11-trimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(E)-2-methylbut-2-enoyl]amino]pentanediamide is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C1CCC(C(C)(C)O)C=CC(C)CCC1=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: 7-(2-Hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-5-en-1-one is a natural product found in Litsea verticillata with data available.
Molecule SMILES: COC1c2c3c(cc(O)c2C(=O)OC1C)OC1(C)C(O)CC2C(C)(C)C(=O)C=CC2(C)C1C3

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: Chrodrimanin S is a natural product found in Penicillium with data available.
Molecule SMILES: CCCCCC1(O)OC2C(O)COC23COC(=O)C13

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: Syringolide 1 is a natural product found in Pseudomonas syringae with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)CCCn2cc(nn2)COC1CN(C)C(=O)NC1CCCC1

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-cyclopentyl-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea is a lactam and an azamacrocycle.
Molecule SMILES: CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

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

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

assistant: 16-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one is a natural product found in Tribulus terrestris with data available.
Molecule SMILES: CC1CCC2C(C=O)=COC(OC3OC(CO)C(O)C(O)C3O)C12

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: (1S,4aS,7R,7aR)-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde is a natural product found in Euphrasia nemorosa and Euphrasia pectinata with data available.
Molecule SMILES: COC(=O)C(O)(CC(=O)O)C(=O)NC(CCCN=C(N)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: N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine is an arginine derivative.
Molecule SMILES: COc1ccccc1C#Cc1ccc2c(c1)OC(CN(C)Cc1cccnc1)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: Provide a description of this molecule <molecule_2d> .

assistant: (2S)-2-[(4S,5S)-8-[2-(2-methoxyphenyl)ethynyl]-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol is a member of methoxybenzenes.
Molecule SMILES: CC1(C)OC2=C(CC1Br)C(=O)C(=O)c1ccccc12

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-bromo-beta-lapachone is a benzochromenone that is beta-lapachone in which one of the hydrogens attached to the carbon adjacent to that bearing the gem-dimethyls is replaced by a bromine. It is a benzochromenone, an organobromine compound and a member of orthoquinones.
Molecule SMILES: CSC=CC(=O)N1CCCC1NC(=O)C=Cc1ccccc1

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: (E)-N-[(2R)-1-[(E)-3-methylsulfanylprop-2-enoyl]pyrrolidin-2-yl]-3-phenylprop-2-enamide is a natural product found in Aglaia tenuicaulis with data available.
Molecule SMILES: O=c1[nH]ncc2ccccc12

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-(2h)-phthalazinone appears as pale yellow crystals. Insoluble in water. (NTP, 1992)
Molecule SMILES: O=c1[nH]ncc2ccccc12

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: Phthalazin-1(2H)-one is a member of phthalazines.
Molecule SMILES: CC1(C)OCC2=CCC3C(C)(CO)C(O)CCC3(C)C2CO1

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: (7aR,8S,9S,11aS,11bR)-8-(hydroxymethyl)-3,3,8,11a-tetramethyl-1,5,7,7a,9,10,11,11b-octahydrobenzo[g][2,4]benzodioxepin-9-ol is a natural product found in Iresine diffusa with data available.
Molecule SMILES: CCCCCc1ccc(C(C)=CC(O)=NC(Cc2c[nH]c3ccccc23)C(O)=NC(CC(=N)O)C(O)=NC(CC(=O)O)C(O)=NC2C(O)=NCC(O)=NC(CCCN)C(O)=NC(CC(=O)O)C(O)=NC(C)C(O)=NC(CC(=O)O)C(O)=NCC(O)=NC(CO)C(O)=NC(C(C)CC(=O)O)C(O)=NC(CC(=O)c3ccccc3N)C(=O)OC2C)cc1

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

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Surotomycin has been used in trials studying the treatment of Diarrhea and Clostridium Difficile Infection. It is a benzenebutanoic acid derivative patented by Cubist Pharmaceuticals, Inc. as antibacterial agents for the treatment of Gram-positive infections. Surotomycin has a fourfold greater in vitro potency than vancomycin against C. Difficile and other Gram-positive bacteria with minimal impact on the Gram-negative organisms of the intestinal microbiota. Surotomycin, given orally, has been shown to be highly effective against both initial and relapsing hamster Clostridium difficile-associated diarrhea, with a potency similar to vancomycin. Surotomycin is non-inferior to vancomycin and offers a promising alternative for the treatment and prevention of C. diff infection.
Molecule SMILES: C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C=O)c(C)c3C(O)CCC=C(C)CCC=C(C)CCC=C(C)C.[Fe+3]

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: Ferriheme a is a ferriheme in which the 1-hydroxy group has S-configuration. It has a role as a cofactor. It is a heme a and a ferriheme. It is a conjugate acid of a ferriheme a(1-).
Molecule SMILES: CC(CCCCCCCCCCCCC(=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-])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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Ascr#26-CoA(4-) is conjugate base of ascr#26-CoA
Molecule SMILES: C=C1OC(=O)C(=CCCCCCC=CCCCCCCCC)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: Isolinderanolide D is a natural product found in Lindera glauca with data available.
Molecule SMILES: CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1

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: (4aS,6aR,6aS,6bR,8aS,10S,12aR,14bS)-10-[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid is a natural product found in Phytolacca dodecandra with data available.
Molecule SMILES: COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C

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: Okenone is a triterpenoid and a carotenoid chi-end group.
Molecule SMILES: COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C

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: Okenone is a natural product found in Thiocapsa, Thiocystis gelatinosa, and Thiodictyon with data available.
Molecule SMILES: CCOC1(C)CC23CC1C=CC2C1(C)CCCC(C)(COC(C)=O)C1CC3O

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,2S,4R,5S,9R,10S,13S,14R)-14-ethoxy-2-hydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-11-enyl]methyl acetate is a natural product found in Sideritis ferrensis with data available.
Molecule SMILES: Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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: Maraviroc is a chemokine co-receptor 5 (CCR5) antagonist, the first of a new class of agents active against the human immunodeficiency virus (HIV) and the acquired immunodeficiency syndrome (AIDS). Maraviroc was approved for use in the United States in 2007 but has had limited use. Maraviroc has been associated with elevations in serum aminotransferase levels and to several cases of acute, clinically apparent liver injury.
Molecule SMILES: Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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: Maraviroc is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4,4-difluorocyclohexanecarboxylic acid and the primary amino group of (1S)-3-[(3-exo)-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropylamine. An antiretroviral drug, it prevents the interaction of HIV-1 gp120 and chemokine receptor 5 (CCR5) necessary for CCR5-tropic HIV-1 to enter cells. It has a role as an antiviral drug, a chemokine receptor 5 antagonist and a HIV fusion inhibitor. It is an azabicycloalkane, an organofluorine compound, a member of triazoles and a monocarboxylic acid amide.
Molecule SMILES: Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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: Maraviroc (brand-named Selzentry, or Celsentri outside the U.S.) is a chemokine receptor antagonist drug developed by the drug company Pfizer that is designed to act against HIV by interfering with the interaction between HIV and CCR5. It was originally labelled as UK-427857 during development but was assigned the Maraviroc name as it entered trials. It was approved for use by the FDA in August, 2007.
Molecule SMILES: Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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: Maraviroc is a CCR5 Co-receptor Antagonist. The mechanism of action of maraviroc is as a Chemokine Co-receptor 5 Antagonist.
Molecule SMILES: Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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: Maraviroc is a C-C Chemokine Receptor Type 5 (CCR5) antagonist with activity against human immunodeficiency virus (HIV). Maraviroc inhibits HIV-1 entry via CCR5 coreceptor interaction.
Molecule SMILES: Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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: Maraviroc (brand name: Selzentry) is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV infection in adults and children weighing at least 4.4 lb (2 kg). Maraviroc is always used in combination with other HIV medicines.
Molecule SMILES: Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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: Maraviroc should not be used in premature newborns or children weighing less than 4.4 lb (2 kg).
Molecule SMILES: Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1

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: Maraviroc should only be used in people whose strain of HIV uses the CCR5coreceptor. Maraviroc is not recommended for people whose HIV uses the CXCR4 coreceptor or both the CCR5 and CXCR4 coreceptors. Your health care provider will do a blood test to see whether your HIV uses only the CCR5 coreceptor.