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Summary

Name:	(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one
Formula:	C22 H19 Cl N4 O2
Formal charge:	0
Formula weight:	406.865 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one
OpenEye OEToolkits	2.0.7	5-(6-chloranyl-4-phenyl-2-piperidin-1-yl-quinolin-3-yl)-3~{H}-1,3,4-oxadiazol-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NN=C(O1)c1c(nc2ccc(Cl)cc2c1c1ccccc1)N1CCCCC1
InChI	InChI	1.06	InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)
InChIKey	InChI	1.06	KKPOBHHCNGNCLR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc2nc(N3CCCCC3)c(C4=NNC(=O)O4)c(c5ccccc5)c2c1
SMILES	CACTVS	3.385	Clc1ccc2nc(N3CCCCC3)c(C4=NNC(=O)O4)c(c5ccccc5)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c3cc(ccc3nc(c2C4=NNC(=O)O4)N5CCCCC5)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c3cc(ccc3nc(c2C4=NNC(=O)O4)N5CCCCC5)Cl

222415

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