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Summary Geometry Related PDB entries

A1H7Y

Summary

Name:	4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide
Formula:	C26 H22 N4 O3
Formal charge:	0
Formula weight:	438.478 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H22N4O3/c1-16-8-9-18(26(32)28-19-6-4-3-5-7-19)12-20(16)24-25(30(2)15-27-24)17-10-11-21-22(13-17)33-14-23(31)29-21/h3-13,15H,14H2,1-2H3,(H,28,32)(H,29,31)
InChIKey	InChI	1.06	IRSPYYYZACJWSE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cnc(c2cc(ccc2C)C(=O)Nc3ccccc3)c1c4ccc5NC(=O)COc5c4
SMILES	CACTVS	3.385	Cn1cnc(c2cc(ccc2C)C(=O)Nc3ccccc3)c1c4ccc5NC(=O)COc5c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1c2c(n(cn2)C)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1c2c(n(cn2)C)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccccc5

223532

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