cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide

C64H60F9N19O10S3 — CID 157168211

IUPACcyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)NC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)OC3CCC3)ccn12
InChIInChI=1S/C22H21F3N6O4S.C21H20F3N7O3S.C21H19F3N6O3S/c1-3-36(33,34)20-17(19-28-15-9-12(22(23,24)25)11-26-18(15)30(19)2)29-16-10-13(7-8-31(16)20)27-21(32)35-14-5-4-6-14;1-3-35(33,34)19-16(18-28-14-8-11(21(22,23)24)10-25-17(14)30(18)2)29-15-9-13(6-7-31(15)19)27-20(32)26-12-4-5-12;1-3-34(32,33)20-16(18-27-14-8-12(21(22,23)24)10-25-17(14)29(18)2)28-15-9-13(6-7-30(15)20)26-19(31)11-4-5-11/h7-11,14H,3-6H2,1-2H3,(H,27,32);6-10,12H,3-5H2,1-2H3,(H2,26,27,32);6-11H,3-5H2,1-2H3,(H,26,31)
InChIKeyANDVYNLOYIFCBM-UHFFFAOYSA-N
MW1522.49 g/mol
LogP11.02
Rot. Bonds15

About cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide

cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide (PubChem CID 157168211) has the molecular formula C64H60F9N19O10S3 and a molecular weight of 1522.49 g/mol. Its IUPAC name is cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Namecyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide
PubChem CID157168211
Molecular FormulaC64H60F9N19O10S3
Molecular Weight1522.49 g/mol
Exact Mass1521.38
IUPAC Namecyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)NC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)OC3CCC3)ccn12
InChIInChI=1S/C22H21F3N6O4S.C21H20F3N7O3S.C21H19F3N6O3S/c1-3-36(33,34)20-17(19-28-15-9-12(22(23,24)25)11-26-18(15)30(19)2)29-16-10-13(7-8-31(16)20)27-21(32)35-14-5-4-6-14;1-3-35(33,34)19-16(18-28-14-8-11(21(22,23)24)10-25-17(14)30(18)2)29-15-9-13(6-7-31(15)19)27-20(32)26-12-4-5-12;1-3-34(32,33)20-16(18-27-14-8-12(21(22,23)24)10-25-17(14)29(18)2)28-15-9-13(6-7-30(15)20)26-19(31)11-4-5-11/h7-11,14H,3-6H2,1-2H3,(H,27,32);6-10,12H,3-5H2,1-2H3,(H2,26,27,32);6-11H,3-5H2,1-2H3,(H,26,31)
InChIKeyANDVYNLOYIFCBM-UHFFFAOYSA-N
XLogP11.02
TPSA355.01 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.49
LogP ≤ 511.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
CID 138533782
N-cyclopropyl-3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridine-7-sulfonamide;2-[7-[cyclopropyl(fluoro)methyl]-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;S-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl] cyclopropanecarbothioate;methyl [3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]sulfanylformate
CID 157806247
N-cyclopropyl-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanesulfonamide;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]thiourea;cyclopropylmethyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate;O-(cyclopropylmethyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanethioate;(1-methylcyclopropyl) 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate
CID 158231508
tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 158768911
2-[7-[(E)-2-cyclopropylethenyl]-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide;prop-2-enyl 2-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetate
CID 158818140
2-(Cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
CID 159235317
2-[7-[cyclopropyl(difluoro)methyl]-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;cyclopropyl-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone;3-[[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]amino]-2H-furan-5-one
CID 161970197
(3,3-difluorocyclobutyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;(2,2-difluorocyclopropyl)-[(2R,6S)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;3-[4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide;N-[[(2R,3S)-3-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 162185099
Cyclopropylmethyl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;cyclopropylmethyl 6-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;cyclopropylmethyl 6-[2-(methylcarbamoylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;cyclopropylmethyl 6-[2-(methylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 157909472

Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide?
The IUPAC name of cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide (CID 157168211) is cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)C3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)NC3CC3)ccn12.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(=O)OC3CCC3)ccn12.
What is the InChIKey of cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide?
The InChIKey is ANDVYNLOYIFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O4S.C21H20F3N7O3S.C21H19F3N6O3S/c1-3-36(33,34)20-17(19-28-15-9-12(22(23,24)25)11-26-18(15)30(19)2)29-16-10-13(7-8-31(16)20)27-21(32)35-14-5-4-6-14;1-3-35(33,34)19-16(18-28-14-8-11(21(22,23)24)10-25-17(14)30(18)2)29-15-9-13(6-7-31(15)19)27-20(32)26-12-4-5-12;1-3-34(32,33)20-16(18-27-14-8-12(21(22,23)24)10-25-17(14)29(18)2)28-15-9-13(6-7-30(15)20)26-19(31)11-4-5-11/h7-11,14H,3-6H2,1-2H3,(H,27,32);6-10,12H,3-5H2,1-2H3,(H2,26,27,32);6-11H,3-5H2,1-2H3,(H,26,31).
What are the key properties of cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide?
cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 1522.49 g/mol, XLogP of 11.02, 15 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;1-cyclopropyl-3-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]urea;N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 157168211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).