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Summary

Name:	N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide
Formula:	C22 H21 Cl F2 N4 O2
Formal charge:	0
Formula weight:	446.878 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide
OpenEye OEToolkits	1.9.2	2-[bis(fluoranyl)methyl]-N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-5-[(2-methylpropanoylamino)methyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCc1ccc(C(F)F)c(c1)C(=O)Nc3ncc(c2ccc(cc2)Cl)n3)C(C)C
InChI	InChI	1.03	InChI=1S/C22H21ClF2N4O2/c1-12(2)20(30)26-10-13-3-8-16(19(24)25)17(9-13)21(31)29-22-27-11-18(28-22)14-4-6-15(23)7-5-14/h3-9,11-12,19H,10H2,1-2H3,(H,26,30)(H2,27,28,29,31)
InChIKey	InChI	1.03	WMRBMFOTNQIZHQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(Cl)cc3
SMILES	CACTVS	3.385	CC(C)C(=O)NCc1ccc(C(F)F)c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(Cl)cc3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F
SMILES	OpenEye OEToolkits	1.9.2	CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F

222415

건을2024-07-10부터공개중

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