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Summary Geometry Related PDB entries

A1D8Y

Summary

Name:	5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
Synonyms:	GSK1292263
Formula:	C23 H28 N4 O4 S
Formal charge:	0
Formula weight:	456.558 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3
InChIKey	InChI	1.06	AYJRTVVIBJSSKN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O
SMILES	CACTVS	3.385	CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)c1nc(on1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)S(=O)(=O)C
SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1nc(on1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)S(=O)(=O)C

222415

PDB entries from 2024-07-10

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