4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide

C82H92ClN17O6 — CID 158496575

IUPAC4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide
SMILESCc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(CCCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccncc1)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccncc1)c1ccc(CCCN3CCCC3)cc21
InChIInChI=1S/C28H32ClN5O2.C27H32N6O2.C27H28N6O2/c1-19-25-26(32-31-19)23-18-20(6-4-16-33-14-2-3-15-33)7-12-24(23)34(28(25)36)17-5-13-30-27(35)21-8-10-22(29)11-9-21;2*1-19-24-25(31-30-19)22-18-20(6-4-16-32-14-2-3-15-32)7-8-23(22)33(27(24)35)17-5-11-29-26(34)21-9-12-28-13-10-21/h7-12,18H,2-6,13-17H2,1H3,(H,30,35)(H,31,32);7-10,12-13,18H,2-6,11,14-17H2,1H3,(H,29,34)(H,30,31);7-10,12-13,18H,2-3,5,11,14-17H2,1H3,(H,29,34)(H,30,31)
InChIKeyHJJCUWDZLHRYOY-UHFFFAOYSA-N
MW1447.20 g/mol
LogP10.97
Rot. Bonds24

About 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide

4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide (PubChem CID 158496575) has the molecular formula C82H92ClN17O6 and a molecular weight of 1447.20 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide
PubChem CID158496575
Molecular FormulaC82H92ClN17O6
Molecular Weight1447.20 g/mol
Exact Mass1445.71
IUPAC Name4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide
SMILESCc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(CCCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccncc1)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccncc1)c1ccc(CCCN3CCCC3)cc21
InChIInChI=1S/C28H32ClN5O2.C27H32N6O2.C27H28N6O2/c1-19-25-26(32-31-19)23-18-20(6-4-16-33-14-2-3-15-33)7-12-24(23)34(28(25)36)17-5-13-30-27(35)21-8-10-22(29)11-9-21;2*1-19-24-25(31-30-19)22-18-20(6-4-16-32-14-2-3-15-32)7-8-23(22)33(27(24)35)17-5-11-29-26(34)21-9-12-28-13-10-21/h7-12,18H,2-6,13-17H2,1H3,(H,30,35)(H,31,32);7-10,12-13,18H,2-6,11,14-17H2,1H3,(H,29,34)(H,30,31);7-10,12-13,18H,2-3,5,11,14-17H2,1H3,(H,29,34)(H,30,31)
InChIKeyHJJCUWDZLHRYOY-UHFFFAOYSA-N
XLogP10.97
TPSA274.84 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001447.20
LogP ≤ 510.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide with MolForge

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Related Compounds

5-(3-aminopropyl)-8-(2-cyclopentylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(2-cyclopropylethynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;3-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-ynoic acid;5-(3-aminopropyl)-3-methyl-8-(3,3,3-trifluoroprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide
CID 160835443
5-(6-chloro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(1H-pyrazol-4-yl)-N-pyridin-4-yl-1H-indazole-3-carboxamide;N-pyridin-4-yl-5-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1H-indazole-3-carboxamide
CID 87064627
N-[2-(1-acetyl-3-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]acetamide;5-(2-aminoethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;7-chloro-5-(2-methoxyethyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-(pyridin-4-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;3-methyl-5-[2-(methylamino)ethyl]-2H-pyrazolo[4,3-c]quinolin-4-one;3-methyl-5-(pyridin-3-ylmethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 157067965
6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157079150
5-(3-amino-3-methylbutyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-benzamidopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide;N-[3-[8-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(2-pyridin-4-ylpropan-2-yl)-2H-pyrazolo[4,3-c][1,7]naphthyridin-5-yl]propyl]benzamide
CID 157143493
5-(3-aminopropyl)-8-chloro-3-(oxolan-3-yl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-3-pyrazin-2-yl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-ethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-(2-hydroxyethyl)-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-ethyl-5-[3-(methylamino)propyl]-2H-pyrazolo[4,3-c]quinolin-4-one
CID 157451781
6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-3-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157457070
5-Methyl-4,5,8,17,20,23,24-heptazahexacyclo[20.5.2.110,14.115,19.02,6.025,29]hentriaconta-1(28),2(6),3,10(31),11,13,15(30),16,18,22,25(29),26-dodecaen-21-one;8-methyl-4,8,17,20,23,24-hexazahexacyclo[20.5.2.12,6.110,14.115,19.025,29]dotriaconta-1(28),2,4,6(32),10(31),11,13,15(30),16,18,22,25(29),26-tridecaen-21-one;23-methylidene-4,8,19,22,25,26-hexazahexacyclo[22.5.2.12,6.112,16.117,21.027,31]tetratriaconta-1(30),2,4,6(34),12(33),13,15,17(32),18,20,24,27(31),28-tridecaen-9-one;4,17,20,23,24-pentazahexacyclo[20.5.2.12,6.110,14.115,19.025,29]dotriaconta-1(28),2,4,6(32),10(31),11,13,15(30),16,18,22,25(29),26-tridecaen-21-one
CID 157786418
tert-butyl 4-[6-[[4-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinolin-3-yl]piperazine-1-carboxylate;N-[(5-chloro-2H-indazol-3-yl)methyl]-2-[(3-piperazin-1-ylquinolin-6-yl)methyl]pyridine-4-carboxamide;methane
CID 157790169
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(2-piperidin-1-ylethyl)phenyl]-1H-indazole-3-carboxamide;methane;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157819417
6-amino-5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-6-bromo-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-chloro-6-ethyl-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-N-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinoline-8-carboxamide;5-(3-aminopropyl)-3-methyl-8-(2-pyridin-3-ylethyl)-2H-pyrazolo[4,3-c]quinolin-4-one;8-chloro-3-methyl-5-prop-2-enyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 157874341
N-[2-(5-methylpyrazol-1-yl)ethyl]-4-pyrazol-1-yl-3-(2-pyridin-3-ylethynyl)benzamide;2-methyl-N-[1-[4-pyrazol-1-yl-3-(2-pyridin-2-ylethynyl)phenyl]ethyl]propan-2-amine;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-pyrazol-1-ylbenzamide;3-(2-phenylethynyl)-N-(2-pyrazin-2-ylethyl)-4-(3,4,5-trimethylpyrazol-1-yl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(pyridin-3-ylmethyl)benzamide;3-(2-phenylethynyl)-4-pyrazol-1-yl-N-(3-pyridin-2-ylpropyl)benzamide
CID 157883029

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide?
The IUPAC name of 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide (CID 158496575) is 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide?
The canonical SMILES for 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide is Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(CCCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccncc1)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccncc1)c1ccc(CCCN3CCCC3)cc21.
What is the InChIKey of 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide?
The InChIKey is HJJCUWDZLHRYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O2.C27H32N6O2.C27H28N6O2/c1-19-25-26(32-31-19)23-18-20(6-4-16-33-14-2-3-15-33)7-12-24(23)34(28(25)36)17-5-13-30-27(35)21-8-10-22(29)11-9-21;2*1-19-24-25(31-30-19)22-18-20(6-4-16-32-14-2-3-15-32)7-8-23(22)33(27(24)35)17-5-11-29-26(34)21-9-12-28-13-10-21/h7-12,18H,2-6,13-17H2,1H3,(H,30,35)(H,31,32);7-10,12-13,18H,2-6,11,14-17H2,1H3,(H,29,34)(H,30,31);7-10,12-13,18H,2-3,5,11,14-17H2,1H3,(H,29,34)(H,30,31).
What are the key properties of 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide?
4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide has a molecular weight of 1447.20 g/mol, XLogP of 10.97, 24 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]benzamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide;N-[3-[3-methyl-4-oxo-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 158496575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).