N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C101H92Br4ClF3N10O4 — CID 158067044

IUPACN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESC#Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.CC(F)(F)c1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)c(F)c1.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.Cc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1
InChIInChI=1S/C21H19BrF2N2O.C21H17BrN2O.C20H18BrFN2O.C20H19BrN2O.C19H19ClN2/c1-21(23,24)13-7-5-12(6-8-13)20(27)26-18-4-2-3-15-16-11-14(22)9-10-17(16)25-19(15)18;1-2-13-6-8-14(9-7-13)21(25)24-19-5-3-4-16-17-12-15(22)10-11-18(17)23-20(16)19;1-11-5-7-14(16(22)9-11)20(25)24-18-4-2-3-13-15-10-12(21)6-8-17(15)23-19(13)18;1-12-5-7-13(8-6-12)20(24)23-18-4-2-3-15-16-11-14(21)9-10-17(16)22-19(15)18;1-12-5-8-14(9-6-12)21-18-4-2-3-15-16-11-13(20)7-10-17(16)22-19(15)18/h5-11,18,25H,2-4H2,1H3,(H,26,27);1,6-12,19,23H,3-5H2,(H,24,25);5-10,18,23H,2-4H2,1H3,(H,24,25);5-11,18,22H,2-4H2,1H3,(H,23,24);5-11,18,21-22H,2-4H2,1H3
InChIKeyFLIWINJPNFZUKO-UHFFFAOYSA-N
MW1921.98 g/mol
LogP26.42
Rot. Bonds11

About N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 158067044) has the molecular formula C101H92Br4ClF3N10O4 and a molecular weight of 1921.98 g/mol. Its IUPAC name is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID158067044
Molecular FormulaC101H92Br4ClF3N10O4
Molecular Weight1921.98 g/mol
Exact Mass1916.37
IUPAC NameN-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESC#Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.CC(F)(F)c1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)c(F)c1.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.Cc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1
InChIInChI=1S/C21H19BrF2N2O.C21H17BrN2O.C20H18BrFN2O.C20H19BrN2O.C19H19ClN2/c1-21(23,24)13-7-5-12(6-8-13)20(27)26-18-4-2-3-15-16-11-14(22)9-10-17(16)25-19(15)18;1-2-13-6-8-14(9-7-13)21(25)24-19-5-3-4-16-17-12-15(22)10-11-18(17)23-20(16)19;1-11-5-7-14(16(22)9-11)20(25)24-18-4-2-3-13-15-10-12(21)6-8-17(15)23-19(13)18;1-12-5-7-13(8-6-12)20(24)23-18-4-2-3-15-16-11-14(21)9-10-17(16)22-19(15)18;1-12-5-8-14(9-6-12)21-18-4-2-3-15-16-11-13(20)7-10-17(16)22-19(15)18/h5-11,18,25H,2-4H2,1H3,(H,26,27);1,6-12,19,23H,3-5H2,(H,24,25);5-10,18,23H,2-4H2,1H3,(H,24,25);5-11,18,22H,2-4H2,1H3,(H,23,24);5-11,18,21-22H,2-4H2,1H3
InChIKeyFLIWINJPNFZUKO-UHFFFAOYSA-N
XLogP26.42
TPSA207.38 Ų
H-Bond Donors10
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001921.98
LogP ≤ 526.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine with MolForge

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Related Compounds

N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-[4-(1,1-difluoroethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 157907858
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161927501
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(5-bromo-1-methylindole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate;tert-butyl N-[2-(1H-indole-3-carbonylamino)-2-(1H-indol-3-yl)ethyl]carbamate;methane
CID 157145480
N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide
CID 157438697
5-bromo-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-3-carboxamide;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
CID 157852735
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-fluorobenzamide;N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-methylbenzamide;N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-2-carboxamide;N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-2-carboxamide
CID 158344626
6-bromo-N-butyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-(cyclohexylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-N-(cyclopenta-1,3-dien-1-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-bromo-1-(2,5-dimethylpyrrol-1-yl)-2,3,4,9-tetrahydro-1H-carbazole;6-bromo-N-methyl-N-(1-phenylethenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N,3-dimethylbenzamide;6-methyl-1-methylidene-2,3,4,9-tetrahydrocarbazole
CID 158660029
5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 159060749
2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-5-(2-pyrrolidin-1-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one;2-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-5-(2-pyrrolidin-1-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-5-(2-pyrrolidin-1-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one;3-methyl-2-[(Z)-(2-oxo-5-phenyl-1H-indol-3-ylidene)methyl]-5-(2-pyrrolidin-1-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one
CID 159331167
N-(3-aminocyclohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide;6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2,4-difluorophenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide;hydrochloride
CID 161850287

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 158067044) is N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is C#Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.CC(F)(F)c1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)c(F)c1.Cc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.Cc1ccc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)cc1.
What is the InChIKey of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is FLIWINJPNFZUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrF2N2O.C21H17BrN2O.C20H18BrFN2O.C20H19BrN2O.C19H19ClN2/c1-21(23,24)13-7-5-12(6-8-13)20(27)26-18-4-2-3-15-16-11-14(22)9-10-17(16)25-19(15)18;1-2-13-6-8-14(9-7-13)21(25)24-19-5-3-4-16-17-12-15(22)10-11-18(17)23-20(16)19;1-11-5-7-14(16(22)9-11)20(25)24-18-4-2-3-13-15-10-12(21)6-8-17(15)23-19(13)18;1-12-5-7-13(8-6-12)20(24)23-18-4-2-3-15-16-11-14(21)9-10-17(16)22-19(15)18;1-12-5-8-14(9-6-12)21-18-4-2-3-15-16-11-13(20)7-10-17(16)22-19(15)18/h5-11,18,25H,2-4H2,1H3,(H,26,27);1,6-12,19,23H,3-5H2,(H,24,25);5-10,18,23H,2-4H2,1H3,(H,24,25);5-11,18,22H,2-4H2,1H3,(H,23,24);5-11,18,21-22H,2-4H2,1H3.
What are the key properties of N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 1921.98 g/mol, XLogP of 26.42, 11 rotatable bonds, 10 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 158067044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).