6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine

C54H60F9N17O4 — CID 159881598

IUPAC6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine
SMILESC.CCC(=O)c1c(C)noc1C1CCN(c2cc(C(F)(F)F)cc3cncn23)CC1.Cn1c(N)c(N2CCN(c3cc(C(F)(F)F)cc4cncn34)CC2)c(=O)n(C)c1=O.FC(F)(F)c1cc(N2CCC(n3cnnn3)CC2)n2cccc2c1
InChIInChI=1S/C20H21F3N4O2.C18H20F3N7O2.C15H15F3N6.CH4/c1-3-16(28)18-12(2)25-29-19(18)13-4-6-26(7-5-13)17-9-14(20(21,22)23)8-15-10-24-11-27(15)17;1-24-15(22)14(16(29)25(2)17(24)30)27-5-3-26(4-6-27)13-8-11(18(19,20)21)7-12-9-23-10-28(12)13;16-15(17,18)11-8-13-2-1-5-23(13)14(9-11)22-6-3-12(4-7-22)24-10-19-20-21-24;/h8-11,13H,3-7H2,1-2H3;7-10H,3-6,22H2,1-2H3;1-2,5,8-10,12H,3-4,6-7H2;1H4
InChIKeyNTPABIPCMZYKJE-UHFFFAOYSA-N
MW1182.17 g/mol
LogP8.71
Rot. Bonds8

About 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine

6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine (PubChem CID 159881598) has the molecular formula C54H60F9N17O4 and a molecular weight of 1182.17 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine
PubChem CID159881598
Molecular FormulaC54H60F9N17O4
Molecular Weight1182.17 g/mol
Exact Mass1181.49
IUPAC Name6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine
SMILESC.CCC(=O)c1c(C)noc1C1CCN(c2cc(C(F)(F)F)cc3cncn23)CC1.Cn1c(N)c(N2CCN(c3cc(C(F)(F)F)cc4cncn34)CC2)c(=O)n(C)c1=O.FC(F)(F)c1cc(N2CCC(n3cnnn3)CC2)n2cccc2c1
InChIInChI=1S/C20H21F3N4O2.C18H20F3N7O2.C15H15F3N6.CH4/c1-3-16(28)18-12(2)25-29-19(18)13-4-6-26(7-5-13)17-9-14(20(21,22)23)8-15-10-24-11-27(15)17;1-24-15(22)14(16(29)25(2)17(24)30)27-5-3-26(4-6-27)13-8-11(18(19,20)21)7-12-9-23-10-28(12)13;16-15(17,18)11-8-13-2-1-5-23(13)14(9-11)22-6-3-12(4-7-22)24-10-19-20-21-24;/h8-11,13H,3-7H2,1-2H3;7-10H,3-6,22H2,1-2H3;1-2,5,8-10,12H,3-4,6-7H2;1H4
InChIKeyNTPABIPCMZYKJE-UHFFFAOYSA-N
XLogP8.71
TPSA208.69 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001182.17
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine with MolForge

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Related Compounds

N-(6-(1-(1-(3,5-dimethylisoxazole-4-carbonyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538867
3-(chloromethyl)-1,2-oxazole;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 157063531
3-(bromomethyl)-5-methyl-1,2-oxazole;(2S)-2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
CID 157380584
(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[6-(5,6-dimethyl-3-pyridinyl)pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-(5,6-dimethyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrazin-2-yl]propanamide;2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide
CID 157450931
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 158004900
7-Chloro-5-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;1-[4-(6-chloroindolizin-8-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]ethanone;1,5,5-trimethyl-3-[1-(7-methylindolizin-5-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 158186944
N-[5-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]pyrazin-2-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;bis((2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]propanamide)
CID 158253336
N-[5-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;bis((2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]propanamide);(2S)-2-[3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide
CID 158651819
3-(chloromethyl)-5-methyl-1,2-oxazole;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 158963363
(2S)-N-[6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]propanamide;(2S)-N-[6-[4-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[4-ethyl-6-(trifluoromethyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1,2-dihydropyrimidin-5-yl]-1,2-dihydropyrimidin-6-yl]propanamide
CID 159303395
6-(1-Butyl-5-methyl-1,2,4-triazol-3-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;6-(1-ethyl-5-methyl-1,2,4-triazol-3-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;6-[1-(4-fluorobutyl)-5-methyl-1,2,4-triazol-3-yl]-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;3-[[3-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-5-methyl-1,2-oxazole;8-[(2-fluorophenyl)methyl]-6-[5-methyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 159530573
(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]acetamide;N-[6-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]propanamide;(2S)-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]-N-[6-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]propanamide;(2S)-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
CID 159679436

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine?
The IUPAC name of 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine (CID 159881598) is 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine is C.CCC(=O)c1c(C)noc1C1CCN(c2cc(C(F)(F)F)cc3cncn23)CC1.Cn1c(N)c(N2CCN(c3cc(C(F)(F)F)cc4cncn34)CC2)c(=O)n(C)c1=O.FC(F)(F)c1cc(N2CCC(n3cnnn3)CC2)n2cccc2c1.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine?
The InChIKey is NTPABIPCMZYKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2.C18H20F3N7O2.C15H15F3N6.CH4/c1-3-16(28)18-12(2)25-29-19(18)13-4-6-26(7-5-13)17-9-14(20(21,22)23)8-15-10-24-11-27(15)17;1-24-15(22)14(16(29)25(2)17(24)30)27-5-3-26(4-6-27)13-8-11(18(19,20)21)7-12-9-23-10-28(12)13;16-15(17,18)11-8-13-2-1-5-23(13)14(9-11)22-6-3-12(4-7-22)24-10-19-20-21-24;/h8-11,13H,3-7H2,1-2H3;7-10H,3-6,22H2,1-2H3;1-2,5,8-10,12H,3-4,6-7H2;1H4.
What are the key properties of 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine?
6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine has a molecular weight of 1182.17 g/mol, XLogP of 8.71, 8 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]pyrimidine-2,4-dione;methane;1-[3-methyl-5-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]-1,2-oxazol-4-yl]propan-1-one;5-[4-(tetrazol-1-yl)piperidin-1-yl]-7-(trifluoromethyl)indolizine is sourced from PubChem (CID 159881598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).