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Summary Geometry Related PDB entries

VU7

Summary

Name:	6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
Formula:	C24 H18 F2 N2 O2
Formal charge:	0
Formula weight:	404.409 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
OpenEye OEToolkits	2.0.7	6-fluoranyl-2-[4-(2-fluorophenyl)phenyl]-~{N}-methoxy-3-methyl-quinoline-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(cccc3)F)cc4
InChI	InChI	1.03	InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29)
InChIKey	InChI	1.03	XPBXJYBHOVBFDA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CONC(=O)c1c(C)c(nc2ccc(F)cc12)c3ccc(cc3)c4ccccc4F
SMILES	CACTVS	3.385	CONC(=O)c1c(C)c(nc2ccc(F)cc12)c3ccc(cc3)c4ccccc4F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC

222415

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