1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea

C104H102F6N20O8S2 — CID 161019468

IUPAC1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
SMILESCC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(F)cc3F)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2F)[nH]1.CCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3[nH]c(C(C)(C)C)nc3-c3ccncc3)c2F)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3[nH]c(C(C)(C)C)nc3-c3ccncc3)c2F)c1
InChIInChI=1S/C27H28FN5O3S.C26H26FN5O3S.C26H26FN5O.C25H22F3N5O/c1-5-37(35,36)19-11-9-18(10-12-19)30-26(34)31-21-8-6-7-20(22(21)28)24-23(17-13-15-29-16-14-17)32-25(33-24)27(2,3)4;1-26(2,3)24-31-22(16-12-14-28-15-13-16)23(32-24)19-6-5-7-20(21(19)27)30-25(33)29-17-8-10-18(11-9-17)36(4,34)35;1-16-7-5-8-18(15-16)29-25(33)30-20-10-6-9-19(21(20)27)23-22(17-11-13-28-14-12-17)31-24(32-23)26(2,3)4;1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-18-8-7-15(26)13-17(18)27/h6-16H,5H2,1-4H3,(H,32,33)(H2,30,31,34);5-15H,1-4H3,(H,31,32)(H2,29,30,33);5-15H,1-4H3,(H,31,32)(H2,29,30,33);4-13H,1-3H3,(H,32,33)(H2,30,31,34)
InChIKeyTYECRULGBAJNBV-UHFFFAOYSA-N
MW1938.21 g/mol
LogP24.66
Rot. Bonds19

About 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea

1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea (PubChem CID 161019468) has the molecular formula C104H102F6N20O8S2 and a molecular weight of 1938.21 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
PubChem CID161019468
Molecular FormulaC104H102F6N20O8S2
Molecular Weight1938.21 g/mol
Exact Mass1936.75
IUPAC Name1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
SMILESCC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(F)cc3F)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2F)[nH]1.CCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3[nH]c(C(C)(C)C)nc3-c3ccncc3)c2F)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3[nH]c(C(C)(C)C)nc3-c3ccncc3)c2F)c1
InChIInChI=1S/C27H28FN5O3S.C26H26FN5O3S.C26H26FN5O.C25H22F3N5O/c1-5-37(35,36)19-11-9-18(10-12-19)30-26(34)31-21-8-6-7-20(22(21)28)24-23(17-13-15-29-16-14-17)32-25(33-24)27(2,3)4;1-26(2,3)24-31-22(16-12-14-28-15-13-16)23(32-24)19-6-5-7-20(21(19)27)30-25(33)29-17-8-10-18(11-9-17)36(4,34)35;1-16-7-5-8-18(15-16)29-25(33)30-20-10-6-9-19(21(20)27)23-22(17-11-13-28-14-12-17)31-24(32-23)26(2,3)4;1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-18-8-7-15(26)13-17(18)27/h6-16H,5H2,1-4H3,(H,32,33)(H2,30,31,34);5-15H,1-4H3,(H,31,32)(H2,29,30,33);5-15H,1-4H3,(H,31,32)(H2,29,30,33);4-13H,1-3H3,(H,32,33)(H2,30,31,34)
InChIKeyTYECRULGBAJNBV-UHFFFAOYSA-N
XLogP24.66
TPSA399.08 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001938.21
LogP ≤ 524.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea with MolForge

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Related Compounds

1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
CID 90326696
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea
CID 90326697
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea
CID 90326698
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
CID 90326699
1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 157164537
3-(2-Cyclopropylpyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 158680316
5-tert-butyl-N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline;4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 159363475
3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(trifluoromethyl)-3H-indol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 160059257
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)
CID 160390313
8-(Dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
CID 160424991
5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[(1R)-1-phenylethyl]pyridin-2-amine;5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[(1S)-1-phenylethyl]pyridin-2-amine;N-[4-ethylsulfonyl-2-(1-methylimidazol-4-yl)phenyl]-4-(trifluoromethyl)pyridin-2-amine;5-ethylsulfonyl-3-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 161588099
5-Cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]pyridine;3-ethylsulfonyl-5-(2-fluorophenyl)-2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]pyridine;3-ethylsulfonyl-5-(3-fluoro-2-pyridinyl)-2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]pyridine;3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-5-pyridin-2-ylpyridine
CID 164024407

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea (CID 161019468) is 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea is CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(F)cc3F)c2F)[nH]1.CC(C)(C)c1nc(-c2ccncc2)c(-c2cccc(NC(=O)Nc3ccc(S(C)(=O)=O)cc3)c2F)[nH]1.CCS(=O)(=O)c1ccc(NC(=O)Nc2cccc(-c3[nH]c(C(C)(C)C)nc3-c3ccncc3)c2F)cc1.Cc1cccc(NC(=O)Nc2cccc(-c3[nH]c(C(C)(C)C)nc3-c3ccncc3)c2F)c1.
What is the InChIKey of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea?
The InChIKey is TYECRULGBAJNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3S.C26H26FN5O3S.C26H26FN5O.C25H22F3N5O/c1-5-37(35,36)19-11-9-18(10-12-19)30-26(34)31-21-8-6-7-20(22(21)28)24-23(17-13-15-29-16-14-17)32-25(33-24)27(2,3)4;1-26(2,3)24-31-22(16-12-14-28-15-13-16)23(32-24)19-6-5-7-20(21(19)27)30-25(33)29-17-8-10-18(11-9-17)36(4,34)35;1-16-7-5-8-18(15-16)29-25(33)30-20-10-6-9-19(21(20)27)23-22(17-11-13-28-14-12-17)31-24(32-23)26(2,3)4;1-25(2,3)23-32-21(14-9-11-29-12-10-14)22(33-23)16-5-4-6-19(20(16)28)31-24(34)30-18-8-7-15(26)13-17(18)27/h6-16H,5H2,1-4H3,(H,32,33)(H2,30,31,34);5-15H,1-4H3,(H,31,32)(H2,29,30,33);5-15H,1-4H3,(H,31,32)(H2,29,30,33);4-13H,1-3H3,(H,32,33)(H2,30,31,34).
What are the key properties of 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea?
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea has a molecular weight of 1938.21 g/mol, XLogP of 24.66, 19 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 161019468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).