1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide

C177H198F14N54O17 — CID 159167491

IUPAC1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESCC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(CC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccncc4)nn3)nn2)c1.CCC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(C)c4)cn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.Cc1ccc(F)c(CNC(=O)c2cn(CCC(F)Cn3cc(CC(=O)CN4CC(F)C4)nn3)nn2)c1.Cc1cccc(CCC(=O)c2cn(CCCCn3cc(C(=O)NCc4cncc(C)c4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCn3cc(CC(=O)CN4CCC(C)(F)CC4)nn3)nn2)c1
InChIInChI=1S/C27H27F3N8O3.C26H35FN8O2.C26H30N8O2.C25H25F3N8O3.C25H27F3N6O3.C25H27FN8O2.C23H27F3N8O2/c1-27(29,30)41-21-6-7-22(28)19(15-21)16-32-26(40)23-17-38(37-35-23)13-3-2-4-20-5-8-24(36-34-20)33-25(39)14-18-9-11-31-12-10-18;1-20-6-5-7-21(14-20)16-28-25(37)24-19-35(32-30-24)11-4-3-10-34-17-22(29-31-34)15-23(36)18-33-12-8-26(2,27)9-13-33;1-19-6-5-7-21(12-19)8-9-25(35)23-17-33(31-29-23)10-3-4-11-34-18-24(30-32-34)26(36)28-16-22-13-20(2)14-27-15-22;1-29-24(38)23-15-36(34-33-23)10-3-2-5-17-8-9-18(32-31-17)11-21(37)12-19-14-35(16-30-19)20-6-4-7-22(13-20)39-25(26,27)28;1-25(27,28)37-20-9-10-21(26)17(12-20)14-29-24(36)22-15-34(33-32-22)11-3-2-4-18-7-8-19(31-30-18)13-23(35)16-5-6-16;1-3-23(35)22-15-34(32-30-22)13-18(26)7-8-19-9-10-24(31-29-19)28-25(36)12-20-14-33(16-27-20)21-6-4-5-17(2)11-21;1-15-2-3-21(26)16(6-15)8-27-23(36)22-14-33(31-29-22)5-4-17(24)11-34-12-19(28-30-34)7-20(35)13-32-9-18(25)10-32/h5-12,15,17H,2-4,13-14,16H2,1H3,(H,32,40)(H,33,36,39);5-7,14,17,19H,3-4,8-13,15-16,18H2,1-2H3,(H,28,37);5-7,12-15,17-18H,3-4,8-11,16H2,1-2H3,(H,28,36);4,6-9,13-16H,2-3,5,10-12H2,1H3,(H,29,38);7-10,12,15-16H,2-6,11,13-14H2,1H3,(H,29,36);4-6,9-11,14-16,18H,3,7-8,12-13H2,1-2H3,(H,28,31,36);2-3,6,12,14,17-18H,4-5,7-11,13H2,1H3,(H,27,36)/t;;;;;18-;/m.....1./s1
InChIKeyKLGJKFRVAZOFTD-BCQYXHNTSA-N
MW3619.86 g/mol
LogP20.67
Rot. Bonds85

About 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide

1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide (PubChem CID 159167491) has the molecular formula C177H198F14N54O17 and a molecular weight of 3619.86 g/mol. Its IUPAC name is 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
PubChem CID159167491
Molecular FormulaC177H198F14N54O17
Molecular Weight3619.86 g/mol
Exact Mass3617.61
IUPAC Name1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESCC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(CC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccncc4)nn3)nn2)c1.CCC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(C)c4)cn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.Cc1ccc(F)c(CNC(=O)c2cn(CCC(F)Cn3cc(CC(=O)CN4CC(F)C4)nn3)nn2)c1.Cc1cccc(CCC(=O)c2cn(CCCCn3cc(C(=O)NCc4cncc(C)c4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCn3cc(CC(=O)CN4CCC(C)(F)CC4)nn3)nn2)c1
InChIInChI=1S/C27H27F3N8O3.C26H35FN8O2.C26H30N8O2.C25H25F3N8O3.C25H27F3N6O3.C25H27FN8O2.C23H27F3N8O2/c1-27(29,30)41-21-6-7-22(28)19(15-21)16-32-26(40)23-17-38(37-35-23)13-3-2-4-20-5-8-24(36-34-20)33-25(39)14-18-9-11-31-12-10-18;1-20-6-5-7-21(14-20)16-28-25(37)24-19-35(32-30-24)11-4-3-10-34-17-22(29-31-34)15-23(36)18-33-12-8-26(2,27)9-13-33;1-19-6-5-7-21(12-19)8-9-25(35)23-17-33(31-29-23)10-3-4-11-34-18-24(30-32-34)26(36)28-16-22-13-20(2)14-27-15-22;1-29-24(38)23-15-36(34-33-23)10-3-2-5-17-8-9-18(32-31-17)11-21(37)12-19-14-35(16-30-19)20-6-4-7-22(13-20)39-25(26,27)28;1-25(27,28)37-20-9-10-21(26)17(12-20)14-29-24(36)22-15-34(33-32-22)11-3-2-4-18-7-8-19(31-30-18)13-23(35)16-5-6-16;1-3-23(35)22-15-34(32-30-22)13-18(26)7-8-19-9-10-24(31-29-19)28-25(36)12-20-14-33(16-27-20)21-6-4-5-17(2)11-21;1-15-2-3-21(26)16(6-15)8-27-23(36)22-14-33(31-29-22)5-4-17(24)11-34-12-19(28-30-34)7-20(35)13-32-9-18(25)10-32/h5-12,15,17H,2-4,13-14,16H2,1H3,(H,32,40)(H,33,36,39);5-7,14,17,19H,3-4,8-13,15-16,18H2,1-2H3,(H,28,37);5-7,12-15,17-18H,3-4,8-11,16H2,1-2H3,(H,28,36);4,6-9,13-16H,2-3,5,10-12H2,1H3,(H,29,38);7-10,12,15-16H,2-6,11,13-14H2,1H3,(H,29,36);4-6,9-11,14-16,18H,3,7-8,12-13H2,1-2H3,(H,28,31,36);2-3,6,12,14,17-18H,4-5,7-11,13H2,1H3,(H,27,36)/t;;;;;18-;/m.....1./s1
InChIKeyKLGJKFRVAZOFTD-BCQYXHNTSA-N
XLogP20.67
TPSA841.03 Ų
H-Bond Donors8
H-Bond Acceptors63
Rotatable Bonds85
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003619.86
LogP ≤ 520.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide with MolForge

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Related Compounds

1-[2-fluoro-4-[6-[[2-[4-[3-[3-[4-[2-[[6-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]-3-oxopiperazin-1-yl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)phenyl]pyridin-2-yl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 132093820
1-[4-[6-[[2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[4-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 157113268
tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157244886
1-[4-[6-[[2-(4-cyclobutyloxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[2-oxo-3-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[2-oxo-4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157334419
CID 157364747
CID 157364747
1-[4-(6-acetamidopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[6-[4-(4-pentanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 157392526
1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl N-[[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]methyl]carbamate;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 157438792
tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157456231
N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[(2-fluoro-5-methylphenyl)methyl]-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[(3-fluoro-2-pyridinyl)methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 157536729
N-[3-(2-anilinoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;tert-butyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[5-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide;ethyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[2-fluoro-5-[2-(methoxycarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide;methyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;4-methyl-N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
CID 157667604
CID 157694736
CID 157694736
1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-[6-[4-[4-(4,4-dimethylhexanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4,4-dimethylpentanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-[4-(hydroxymethyl)hexanoyl]triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-[6-[4-[4-(4-methoxybutanoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;N-methyl-1-[4-[6-[[2-(oxan-4-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-(3-pyrrolidin-1-ylphenyl)propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(oxetan-3-ylmethyl)-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157710687

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide (CID 159167491) is 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide is CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(CC(=O)C4CC4)nn3)nn2)c1.CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccncc4)nn3)nn2)c1.CCC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cn(-c4cccc(C)c4)cn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cn(-c4cccc(OC(F)(F)F)c4)cn3)nn2)nn1.Cc1ccc(F)c(CNC(=O)c2cn(CCC(F)Cn3cc(CC(=O)CN4CC(F)C4)nn3)nn2)c1.Cc1cccc(CCC(=O)c2cn(CCCCn3cc(C(=O)NCc4cncc(C)c4)nn3)nn2)c1.Cc1cccc(CNC(=O)c2cn(CCCCn3cc(CC(=O)CN4CCC(C)(F)CC4)nn3)nn2)c1.
What is the InChIKey of 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide?
The InChIKey is KLGJKFRVAZOFTD-BCQYXHNTSA-N. The full InChI is InChI=1S/C27H27F3N8O3.C26H35FN8O2.C26H30N8O2.C25H25F3N8O3.C25H27F3N6O3.C25H27FN8O2.C23H27F3N8O2/c1-27(29,30)41-21-6-7-22(28)19(15-21)16-32-26(40)23-17-38(37-35-23)13-3-2-4-20-5-8-24(36-34-20)33-25(39)14-18-9-11-31-12-10-18;1-20-6-5-7-21(14-20)16-28-25(37)24-19-35(32-30-24)11-4-3-10-34-17-22(29-31-34)15-23(36)18-33-12-8-26(2,27)9-13-33;1-19-6-5-7-21(12-19)8-9-25(35)23-17-33(31-29-23)10-3-4-11-34-18-24(30-32-34)26(36)28-16-22-13-20(2)14-27-15-22;1-29-24(38)23-15-36(34-33-23)10-3-2-5-17-8-9-18(32-31-17)11-21(37)12-19-14-35(16-30-19)20-6-4-7-22(13-20)39-25(26,27)28;1-25(27,28)37-20-9-10-21(26)17(12-20)14-29-24(36)22-15-34(33-32-22)11-3-2-4-18-7-8-19(31-30-18)13-23(35)16-5-6-16;1-3-23(35)22-15-34(32-30-22)13-18(26)7-8-19-9-10-24(31-29-19)28-25(36)12-20-14-33(16-27-20)21-6-4-5-17(2)11-21;1-15-2-3-21(26)16(6-15)8-27-23(36)22-14-33(31-29-22)5-4-17(24)11-34-12-19(28-30-34)7-20(35)13-32-9-18(25)10-32/h5-12,15,17H,2-4,13-14,16H2,1H3,(H,32,40)(H,33,36,39);5-7,14,17,19H,3-4,8-13,15-16,18H2,1-2H3,(H,28,37);5-7,12-15,17-18H,3-4,8-11,16H2,1-2H3,(H,28,36);4,6-9,13-16H,2-3,5,10-12H2,1H3,(H,29,38);7-10,12,15-16H,2-6,11,13-14H2,1H3,(H,29,36);4-6,9-11,14-16,18H,3,7-8,12-13H2,1-2H3,(H,28,31,36);2-3,6,12,14,17-18H,4-5,7-11,13H2,1H3,(H,27,36)/t;;;;;18-;/m.....1./s1.
What are the key properties of 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide?
1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide has a molecular weight of 3619.86 g/mol, XLogP of 20.67, 85 rotatable bonds, 8 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-cyclopropyl-2-oxoethyl)pyridazin-3-yl]butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[6-[(2-pyridin-4-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[3-(3-fluoroazetidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[3-(4-fluoro-4-methylpiperidin-1-yl)-2-oxopropyl]triazol-1-yl]butyl]-N-[(3-methylphenyl)methyl]triazole-4-carboxamide;N-[6-[(3R)-3-fluoro-4-(4-propanoyltriazol-1-yl)butyl]pyridazin-3-yl]-2-[1-(3-methylphenyl)imidazol-4-yl]acetamide;N-methyl-1-[4-[6-[2-oxo-3-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[4-[3-(3-methylphenyl)propanoyl]triazol-1-yl]butyl]-N-[(5-methyl-3-pyridinyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 159167491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).