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Summary Geometry Related PDB entries

R09

Summary

Name:	4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine
Formula:	C28 H25 N3 O3 S
Formal charge:	0
Formula weight:	483.581 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine
OpenEye OEToolkits	1.7.6	4-[5-(6-methoxynaphthalen-2-yl)-1-methyl-2-(2-methyl-4-methylsulfonyl-phenyl)imidazol-4-yl]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c5cc(c(c3nc(c(c2cc1ccc(OC)cc1cc2)n3C)c4ccncc4)cc5)C)C
InChI	InChI	1.03	InChI=1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3
InChIKey	InChI	1.03	ZDSNJSQTPLXCSG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2cc(ccc2c1)c3n(C)c(nc3c4ccncc4)c5ccc(cc5C)[S](C)(=O)=O
SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)c3n(C)c(nc3c4ccncc4)c5ccc(cc5C)[S](C)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C

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