1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate

C100H108N28O10 — CID 157140922

IUPAC1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
SMILESCCNC(=O)Nc1nc2c(-c3cc(CN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3cc(CN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1
InChIInChI=1S/C27H30N8O3.C27H29N7O4.C23H25N7O.C23H24N6O2/c1-2-29-27(37)34-26-32-23-15-18(14-21(24(23)33-26)22-5-3-4-6-30-22)19-13-20(17-28-16-19)25(36)31-7-8-35-9-11-38-12-10-35;1-2-38-27(36)33-26-31-23-15-18(14-21(24(23)32-26)22-5-3-4-6-29-22)19-13-20(17-28-16-19)25(35)30-7-8-34-9-11-37-12-10-34;1-4-25-23(31)29-22-27-20-12-17(16-6-5-8-24-13-16)11-18(21(20)28-22)19-10-15(7-9-26-19)14-30(2)3;1-4-31-23(30)28-22-26-20-12-17(16-6-5-8-24-13-16)11-18(21(20)27-22)19-10-15(7-9-25-19)14-29(2)3/h3-6,13-17H,2,7-12H2,1H3,(H,31,36)(H3,29,32,33,34,37);3-6,13-17H,2,7-12H2,1H3,(H,30,35)(H2,31,32,33,36);5-13H,4,14H2,1-3H3,(H3,25,27,28,29,31);5-13H,4,14H2,1-3H3,(H2,26,27,28,30)
InChIKeyAKEFRLVJFIBTGU-UHFFFAOYSA-N
MW1862.15 g/mol
LogP14.41
Rot. Bonds28

About 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate

1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate (PubChem CID 157140922) has the molecular formula C100H108N28O10 and a molecular weight of 1862.15 g/mol. Its IUPAC name is 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Name1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
PubChem CID157140922
Molecular FormulaC100H108N28O10
Molecular Weight1862.15 g/mol
Exact Mass1860.88
IUPAC Name1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
SMILESCCNC(=O)Nc1nc2c(-c3cc(CN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3cc(CN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1
InChIInChI=1S/C27H30N8O3.C27H29N7O4.C23H25N7O.C23H24N6O2/c1-2-29-27(37)34-26-32-23-15-18(14-21(24(23)33-26)22-5-3-4-6-30-22)19-13-20(17-28-16-19)25(36)31-7-8-35-9-11-38-12-10-35;1-2-38-27(36)33-26-31-23-15-18(14-21(24(23)32-26)22-5-3-4-6-29-22)19-13-20(17-28-16-19)25(35)30-7-8-34-9-11-37-12-10-34;1-4-25-23(31)29-22-27-20-12-17(16-6-5-8-24-13-16)11-18(21(20)28-22)19-10-15(7-9-26-19)14-30(2)3;1-4-31-23(30)28-22-26-20-12-17(16-6-5-8-24-13-16)11-18(21(20)27-22)19-10-15(7-9-25-19)14-29(2)3/h3-6,13-17H,2,7-12H2,1H3,(H,31,36)(H3,29,32,33,34,37);3-6,13-17H,2,7-12H2,1H3,(H,30,35)(H2,31,32,33,36);5-13H,4,14H2,1-3H3,(H3,25,27,28,29,31);5-13H,4,14H2,1-3H3,(H2,26,27,28,30)
InChIKeyAKEFRLVJFIBTGU-UHFFFAOYSA-N
XLogP14.41
TPSA466.38 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001862.15
LogP ≤ 514.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate with MolForge

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Related Compounds

CID 121335312
CID 121335312
N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide
CID 164626260
4-(3H-benzimidazol-5-yl)-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 44351124
2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
CID 137639511
4-[1-[[6-[2-(dimethylamino)propan-2-yl]-4-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]morpholin-3-yl]methyl]pyrrolo[2,3-b]pyridin-4-yl]-7-[[5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166357
4-[1-[[(6S)-6-[2-(dimethylamino)propan-2-yl]-4-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]morpholin-3-yl]methyl]pyrrolo[2,3-b]pyridin-4-yl]-7-[[6-methyl-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166601
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-2-[7-fluoro-3-[7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyridin-8-yl]-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 156418516
5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157478017
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;6-(3-formyl-1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde;6-[[(3S)-2-oxopyrrolidin-3-yl]amino]-2-[1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]pyrimidine-4-carboxamide
CID 158029926
5-(3,3-dimethyl-2-oxo-1-pyrazin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 158402713
5-(3,3-dimethyl-2-oxo-1-pyrazin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158766362
[4-[5-amino-6-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone;[4-[5-amino-6-(4-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[4-[5-amino-6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 159034747

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate (CID 157140922) is 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate is CCNC(=O)Nc1nc2c(-c3cc(CN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3cc(CN(C)C)ccn3)cc(-c3cccnc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cncc(C(=O)NCCN4CCOCC4)c3)cc2[nH]1.
What is the InChIKey of 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The InChIKey is AKEFRLVJFIBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O3.C27H29N7O4.C23H25N7O.C23H24N6O2/c1-2-29-27(37)34-26-32-23-15-18(14-21(24(23)33-26)22-5-3-4-6-30-22)19-13-20(17-28-16-19)25(36)31-7-8-35-9-11-38-12-10-35;1-2-38-27(36)33-26-31-23-15-18(14-21(24(23)32-26)22-5-3-4-6-29-22)19-13-20(17-28-16-19)25(35)30-7-8-34-9-11-37-12-10-34;1-4-25-23(31)29-22-27-20-12-17(16-6-5-8-24-13-16)11-18(21(20)28-22)19-10-15(7-9-26-19)14-30(2)3;1-4-31-23(30)28-22-26-20-12-17(16-6-5-8-24-13-16)11-18(21(20)27-22)19-10-15(7-9-25-19)14-29(2)3/h3-6,13-17H,2,7-12H2,1H3,(H,31,36)(H3,29,32,33,34,37);3-6,13-17H,2,7-12H2,1H3,(H,30,35)(H2,31,32,33,36);5-13H,4,14H2,1-3H3,(H3,25,27,28,29,31);5-13H,4,14H2,1-3H3,(H2,26,27,28,30).
What are the key properties of 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate has a molecular weight of 1862.15 g/mol, XLogP of 14.41, 28 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;5-[2-(ethylcarbamoylamino)-7-pyridin-2-yl-3H-benzimidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;ethyl N-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 157140922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).