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Summary Geometry Related PDB entries

L8V

Summary

Name:	2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
Formula:	C23 H16 F3 N5 O2
Formal charge:	0
Formula weight:	451.401 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	1.6.1	2-[[4-(2-azanylpyridin-4-yl)oxy-3-fluoro-phenyl]amino]-N-(2,4-difluorophenyl)pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.352	Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc4ccc(F)cc4F)cc2F)ccn1
SMILES	CACTVS	3.352	Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc4ccc(F)cc4F)cc2F)ccn1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F
SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F
InChI	InChI	1.03	InChI=1S/C23H16F3N5O2/c24-13-3-5-19(17(25)10-13)31-23(32)16-2-1-8-29-22(16)30-14-4-6-20(18(26)11-14)33-15-7-9-28-21(27)12-15/h1-12H,(H2,27,28)(H,29,30)(H,31,32)
InChIKey	InChI	1.03	VPOULRXFJKYXDN-UHFFFAOYSA-N

226707

PDB entries from 2024-10-30

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