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Summary Geometry Related PDB entries

GK4

Summary

Name:	N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
Formula:	C21 H21 N3 O2
Formal charge:	0
Formula weight:	347.41 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
OpenEye OEToolkits	1.5.0	N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCC1CC1)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4
SMILES_CANONICAL	CACTVS	3.341	Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCC4CC4
SMILES	CACTVS	3.341	Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCC4CC4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C
InChI	InChI	1.03	InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
InChIKey	InChI	1.03	FOHZGCHKLPIBBX-UHFFFAOYSA-N

218853

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