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Summary Geometry Related PDB entries

VKT

Summary

Name:	7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
Formula:	C21 H27 N5 O
Formal charge:	0
Formula weight:	365.472 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27)
InChIKey	InChI	1.03	VOQRBLKAJQZWAI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC1=Cc2ccc(CN3CCN(CC3)c4ncc(C)n4C)cc2NC1=O
SMILES	CACTVS	3.385	CCC1=Cc2ccc(CN3CCN(CC3)c4ncc(C)n4C)cc2NC1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C
SMILES	OpenEye OEToolkits	2.0.7	CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C

222415

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