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Summary Geometry Related PDB entries

Q52

Summary

Name:	~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
Formula:	C23 H27 Cl N4 O
Formal charge:	0
Formula weight:	410.94 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H27ClN4O/c1-29-22-7-6-21-23(27-22)18(8-12-25-21)9-13-28-14-10-20(11-15-28)26-16-17-2-4-19(24)5-3-17/h2-8,12,20,26H,9-11,13-16H2,1H3
InChIKey	InChI	1.03	MLGPJPYFHAIWJL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2nccc(CCN3CCC(CC3)NCc4ccc(Cl)cc4)c2n1
SMILES	CACTVS	3.385	COc1ccc2nccc(CCN3CCC(CC3)NCc4ccc(Cl)cc4)c2n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl

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건을2024-07-17부터공개중

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