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Summary Geometry Related PDB entries

0MR

Summary

Name:	N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide
Formula:	C28 H25 Cl N6 O6
Formal charge:	0
Formula weight:	576.988 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	1.7.6	N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C28H25ClN6O6/c1-17-25(26(32-41-17)18-7-3-4-9-24(18)40-2)28(37)34-13-11-33(12-14-34)22-16-21(23(35(38)39)15-19(22)29)31-27(36)20-8-5-6-10-30-20/h3-10,15-16H,11-14H2,1-2H3,(H,31,36)
InChIKey	InChI	1.03	QSXDDWUUADOGGK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5ccccn5)c(cc4Cl)[N+]([O-])=O
SMILES	CACTVS	3.370	COc1ccccc1c2noc(C)c2C(=O)N3CCN(CC3)c4cc(NC(=O)c5ccccn5)c(cc4Cl)[N+]([O-])=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5

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