IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(N)n3CCO)CSC12)c1csc(N)n1

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

user: Describe this molecule: <molecule_2d> .

assistant: Cefoselis is a semisynthetic, broad-spectrum, beta-lactamase-resistant, fourth-generation cephalosporin with antibacterial activity. Cefoselis binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.
Molecule SMILES: CCNC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OC1OCC(C)(O)C(NC)C1O.O=S(=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: Tell me something about this molecule: <molecule_2d>

assistant: Netilmicin Sulfate is the sulfate salt form of netilimicin, a semisynthetic, water soluble aminoglycoside antibiotic. Netilmicin is derived from sisomicin, a naturally occurring aminoglycoside antibiotic produced by the fermentation of Micromonospora inyoensis. Netilmicin irreversibly binds to the 16S rRNA and S12 protein of the bacterial 30S ribosomal subunit. As a result, this agent interferes with the assembly of initiation complex between mRNA and the bacterial ribosome, thereby inhibiting the initiation of protein synthesis. In addition, netilmicin induces misreading of the mRNA template and causes translational frameshift, thereby results in premature termination. This eventually leads to bacterial cell death.
Molecule SMILES: C=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=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: Exemestane is a steroidal inhibitor of aromatase which effectively blocks estrogen synthesis in postmenopausal women and is used as therapy of estrogen receptor positive breast cancer, usually after resection and after failure of tamoxifen. Exemestane has been associated with a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury.
Molecule SMILES: C=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=C12

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

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

assistant: Exemestane is a 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer. It has a role as an EC 1.14.14.14 (aromatase) inhibitor, an antineoplastic agent, an environmental contaminant and a xenobiotic. It is a 17-oxo steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a hydride of an androstane.
Molecule SMILES: C=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=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: Exemestane is an oral steroidal aromatase inhibitor used in the adjuvant treatment of hormonally-responsive (also called hormone-receptor-positive, estrogen-responsive) breast cancer in postmenopausal women. It irreversibly binds to the active site of the enzyme resulting in permanent inhibition.
Molecule SMILES: C=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=C12

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

user: Tell me something about this molecule: <molecule_2d>

assistant: Exemestane is an Aromatase Inhibitor. The mechanism of action of exemestane is as an Aromatase Inhibitor.
Molecule SMILES: C=C1CC2C(CCC3(C)C(=O)CCC23)C2(C)C=CC(=O)C=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: Exemestane is an irreversible steroidal aromatase inhibitor, with antiestrogen and antineoplastic activities. Upon oral administration, exemestane binds irreversibly to and inhibits the enzyme aromatase, thereby blocking the peripheral aromatization of androgens, including androstenedione and testosterone, to estrogens. This lowers estrogen levels in the blood circulation.
Molecule SMILES: c1ccc(CCCc2ccco2)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: 2-(3-Phenylpropyl)furan is a natural product found in Ruta graveolens with data available.
Molecule SMILES: C=C(C)C1CCC2(C)C(CC(OC3OCC(O)C(O)C3O)C3C(C(C)(O)CC=CC(C)(C)O)CCC32C)C1(C)CCC(=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: Pterocaryoside B is a natural product found in Cyclocarya paliurus with data available.
Molecule SMILES: CCCCOC(=O)C=CC(=O)O

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

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

assistant: Butyl maleate is a maleate ester.
Molecule SMILES: CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C4O)C3NC(C)=O)C2O)(C(=O)O)OC1C(O)C(O)CO

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

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

assistant: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CC(C)C12CCC(C)(OO1)C1OC12

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: 1-Methyl-5-propan-2-yl-3,6,7-trioxatricyclo[3.2.2.02,4]nonane is a natural product found in Rehmannia glutinosa with data available.
Molecule SMILES: CC1(C)CCCC2(C)C(O)CCC(CO)=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: Bacciferin B is a natural product found in Cipadessa baccifera with data available.
Molecule SMILES: CCC(O)C=C1OC(=O)c2ccccc21

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: Senkyunolide E is a natural product found in Angelica sinensis and Levisticum officinale with data available.
Molecule SMILES: CCC(=O)Nc1ccc2c(c1)OCC(C)N(CC1CCCCC1)CC(C)C(OC)CN(C)C2=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: N-[(5R,6R,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide is an azamacrocycle and a lactam.
Molecule SMILES: CC1CN(C(C)CO)C(=O)CCCn2nncc2COC1CN(C)C(=O)c1ccc2ccn(C)c2c1

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: N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N,1-dimethyl-6-indolecarboxamide is a lactam and an azamacrocycle.
Molecule SMILES: O=C(O)CNC(=O)CCCC(=O)Oc1ccc([N+](=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: Describe this molecule: <molecule_2d> .

assistant: N-[5-(p-nitrophenoxy)-5-oxopentanoyl]glycine is a glycine derivative whose structure comprises a glycine core carrying an N-[5-(p-nitrophenoxy)-5-oxopentanoyl] substituent. It is a glycine derivative, a C-nitro compound and a carboxylic ester.
Molecule SMILES: CC(=O)OC(C)(C)CNC(=O)C=CC=Cc1ccc2c(c1)OCO2

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: Isocorcovadine is a natural product found in Piper corcovadense, Piper hoffmannseggianum, and Piper scutifolium with data available.
Molecule SMILES: CC(C)c1cc([O-])c2c(c1)CCC1C(C)(C)CCCC21C

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: 11-oxomiltiradiene(1-) is an organic anion that is the conjugate base of 11-oxomiltiradiene, arising from the deprotonation of the methylene group at position 14. Major species at pH 7.3. It is a conjugate base of an 11-oxomiltiradiene.
Molecule SMILES: OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1

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: 7-demethoxyegonol is a member of the class of 1-benzofurans that is egonol in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of Styrax agrestis. It has a role as a metabolite and a plant metabolite. It is a member of 1-benzofurans, a member of benzodioxoles and a primary alcohol. It is functionally related to an egonol. It derives from a hydride of a 1-benzofuran.
Molecule SMILES: OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1

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: Demethoxyegonol is a natural product found in Styrax agrestis, Styrax perkinsiae, and other organisms with data available.
Molecule SMILES: C=NC1CC2C3CC1(C)CC2(C)CC3C(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: N-[(1S,3R,5S,6R,7R,9S)-1,3-dimethyl-5-propan-2-yl-9-tricyclo[4.3.1.03,7]decanyl]methanimine is a natural product found in Phyllidiella pustulosa with data available.
Molecule SMILES: C=C(C)C1CCC2(C)CCC3(C)CC4C(C)CC(=O)C4C(C=O)=CCC3C12

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,3S,4S,7R,11S,12S,13S,16S)-1,4,16-trimethyl-6-oxo-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadec-8-ene-8-carbaldehyde is a natural product found in Aspergillus stellatus and Aspergillus aurantiobrunneus with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCC(C)C=C(C)C(=O)OC1C(OC2OC(CO)C(O)C(O)C2OS(=O)(=O)O)OC(CO)C(O)C1OC(=O)CCCCCCCCCCCCCCC

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-O-[(2E,4S)-2,4-dimethyldocos-2-enoyl]-3-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose is a sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with (2E,4S)-2,4-dimethyldocos-2-enoic acid, and at the 3-position with palmitoic acid. It is a sulfoglycolipid and a polyacyl alpha,alpha-trehalose derivative. It is functionally related to an alpha,alpha-trehalose.
Molecule SMILES: CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC2OC24CC=CC(=O)C14C)C(=O)OC35C

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: Physalin F is a physalin with antimalarial and antitumour activities isolated from Physalis angulata. It has a role as an antimalarial, an antineoplastic agent, an antileishmanial agent, an apoptosis inducer and an immunosuppressive agent. It is an enone, a lactone, a physalin and an epoxy steroid.
Molecule SMILES: CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC2OC24CC=CC(=O)C14C)C(=O)OC35C

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: 5,6-Epxoyphysalin B is a natural product found in Physalis angulata, Alkekengi officinarum var. franchetii, and other organisms with data available.
Molecule SMILES: CC1=CCC(C(C)CCC(O)C(C)(C)O)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: Trichodermaerin A is a natural product found in Trichoderma erinaceum with data available.
Molecule SMILES: CC(=O)OCC1OC(OC2CC3(C)C4C(O)C=C5C(CCC(OC6OCC(OC(C)=O)C(O)C6O)C5(C)C)C4(C)CCC3(C)C2C(C)CCC=C(C)C)C(O)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: [(2R,3S,4R,5R,6R)-3-acetyloxy-6-[[(3S,7S,8R,9S,10S,13R,14S,16S,17R)-3-[(2S,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxy-7-hydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4,5-dihydroxyoxan-2-yl]methyl acetate is a natural product found in Hebeloma vinosophyllum with data available.
Molecule SMILES: CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)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: 4',5-Dihydroxy-3-[[2-O-[6-O-(4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-(alpha-L-rhamnopyranosyloxy)flavone is a natural product found in Aconitum napellus with data available.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCC(=O)NCCO

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: Linoleoyl ethanolamide is an N-acylethanolamine 18:2 that is the ethanolamide of linoleic acid. It has a role as an EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor. It is functionally related to a linoleic acid.
Molecule SMILES: CCCCCC=CCC=CCCCCCCCC(=O)NCCO

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: Linoleoyl ethanolamide is a natural product found in Solanum lasiocarpum, Gossypium hirsutum, and other organisms with data available.
Molecule SMILES: O=C(OC1C2OC(=O)c3cc(O)c(O)c(O)c3Oc3cc4c(c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)OCC3OC(O)C(OC(=O)c5cc(O)c(O)c(O)c5Oc5cc6c(c(O)c5O)-c5c(cc(O)c(O)c5O)C(=O)OC1C(COC6=O)OC2O)C(OC(=O)c1cc(O)c(O)c(O)c1)C3OC4=O)c1cc(O)c(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: Tell me something about this molecule: <molecule_2d>

assistant: [(11R,12R,14R,15R,37R,38R,40R,57R,58S,64S)-4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] 3,4,5-trihydroxybenzoate is a natural product found in Epilobium dodonaei with data available.
Molecule SMILES: CCC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C

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: 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol is a steroid. It derives from a hydride of a pregnane.
Molecule SMILES: CC1=CCC(O)C2(C)C(O)CC3C(C)C(=O)OC3C12

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: (3R,3aS,5R,5aS,6R,9aR,9bR)-5,6-dihydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one is a natural product found in Crataegus punctata and Crataegus flava with data available.
Molecule SMILES: CC1CCC=C2CCC3C(C3(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: CID 15560278 is a natural product found in Hyptis goyazensis, Aristolochia gigantea, and other organisms with data available.
Molecule SMILES: C=C1C2CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C2)C1OC(=O)C(C)=CC

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: 15beta-(Angeloyloxy)kaur-16-en-3alpha-ol is a natural product found in Selinum carvifolia and Linum tenuifolium with data available.
Molecule SMILES: COc1cc(OC)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)O)c(O)c3)c(O)c2)c(C)c1OC

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

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

assistant: 2-Hydroxy-4-[2-hydroxy-6-methyl-4-(3,4,6-trimethoxy-2-methylbenzoyl)oxybenzoyl]oxy-6-methylbenzoic acid is a natural product found in Hypotrachyna neodamaziana with data available.
Molecule SMILES: COC(=O)C12OCC34C(CC5C(C)=CC(OC6OC(CO)C(O)C(O)C6O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)O)C24

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

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

assistant: methyl (1R,2R,3S,6S,8R,11R,12R,13R,14R,15R,16S,17S)-12,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4-oxo-11-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate is a natural product found in Brucea javanica with data available.
Molecule SMILES: CCCC1CNC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)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: N-desmethylclindamycin is a natural product found in Streptomyces armentosus with data available.
Molecule SMILES: COC(=O)C1(O)OCC23C(OC(=O)C=Cc4ccccc4)CC(OC(=O)C=Cc4ccccc4)C4(C)COC(C42)C(O)C(C)(C24OC2(C)C2CC4OC4OC=CC42O)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 brief overview of this molecule <molecule_2d> .

assistant: methyl (1R,4S,5R,6S,7S,8R,11R,12R,14S,15S)-4,7-dihydroxy-6-[(1S,2R,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-12-[(Z)-3-phenylprop-2-enoyl]oxy-14-[(E)-3-phenylprop-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4-carboxylate is a natural product found in Melia azedarach with data available.
Molecule SMILES: CCCCCCCC(=O)NC(CN1CCCC1)C(O)c1ccc2c(c1)OCCO2

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: Eliglustat is an oral inhibitor of glucosylceramide synthase which is used in the therapy of type 1 Gaucher disease. Clinical experience with eliglustat is limited, but it not been linked to serum enzyme elevations during therapy or to instances of clinically apparent acute liver injury.
Molecule SMILES: CCCCCCCC(=O)NC(CN1CCCC1)C(O)c1ccc2c(c1)OCCO2

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: Eliglustat is a carboxamide obtained by formal condensation of the carboxy group of octanoic acid with the primary amino group of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol. A ceramide glucosyltransferase inhibitor used (as its tartrate salt) for treatment of Gaucher's disease. It has a role as an EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor. It is a benzodioxine, a N-alkylpyrrolidine, a secondary alcohol and a carboxamide. It is a conjugate base of an eliglustat(1+).
Molecule SMILES: CCCCCCCC(=O)NC(CN1CCCC1)C(O)c1ccc2c(c1)OCCO2

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: Eliglustat is a glucosylceramide synthase inhibitor used for the long-term treatment of type 1 Gaucher disease. Gaucher disease is a rare genetic disorder characterized by the deficiency of acid β-glucosidase, an enzyme that converts glucosylceramide into glucose and ceramide. In patients with Gaucher disease, the accumulation of glucosylceramide leads to the formation of Gaucher cells that infiltrate the liver, spleen, bone marrow and other organs. This leads to complications such as anemia and thrombocytopenia. By inhibiting glucosylceramide synthase, eliglustat reduces the accumulation of glucosylceramide.  Eliglustat is mainly metabolized by CYP2D6. Patients selected for eliglustat treatment undergo an FDA-cleared genotyping test to establish if they are CYP2D6 extensive metabolizers (EMs), intermediate metabolizers (IMs), or poor metabolizers (PMs). The results of this test dictate eliglustat dosing recommendations for each type of patient. There are no dosing recommendations for CYP2D6 ultra-rapid or indeterminate metabolizers. Eliglustat was approved by the FDA in August 2014 as an oral substrate reduction therapy for the first-line treatment of type 1 Gaucher disease. Enzyme replacement continues to be the standard of care for the treatment of type 1 Gaucher disease ([imiglucerase], [velaglucerase alfa], [taliglucerase alfa]); however, oral substrate reduction therapies with favourable safety profiles, such as eliglustat, represent a treatment alternative.