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Summary Geometry Related PDB entries

G6A

Summary

Name:	N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-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-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
OpenEye OEToolkits	1.5.0	N-cyclopropyl-4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1CC1)c2cc(c(cc2)C)c4c(cc(c3nnc(o3)C)cc4)C
SMILES_CANONICAL	CACTVS	3.341	Cc1oc(nn1)c2ccc(c(C)c2)c3cc(ccc3C)C(=O)NC4CC4
SMILES	CACTVS	3.341	Cc1oc(nn1)c2ccc(c(C)c2)c3cc(ccc3C)C(=O)NC4CC4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4
InChI	InChI	1.03	InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)
InChIKey	InChI	1.03	UBVTVSINEVHYSY-UHFFFAOYSA-N

218853

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