Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

LJF

Summary
Name:N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide
Formula:C29 H21 F N6 O2
Formal charge:0
Formula weight:504.514 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide
OpenEye OEToolkits1.7.0N-[4-[3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl]oxyphenyl]-2-phenylazanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2ccccc2Nc1ccccc1)Nc5ccc(Oc4ncccc4c3nc(/N=C)ncc3F)cc5
SMILES_CANONICALCACTVS3.370Fc1cnc(N=C)nc1c2cccnc2Oc3ccc(NC(=O)c4ccccc4Nc5ccccc5)cc3
SMILESCACTVS3.370Fc1cnc(N=C)nc1c2cccnc2Oc3ccc(NC(=O)c4ccccc4Nc5ccccc5)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.0C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F
SMILESOpenEye OEToolkits1.7.0C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F
InChIInChI1.03InChI=1S/C29H21FN6O2/c1-31-29-33-18-24(30)26(36-29)23-11-7-17-32-28(23)38-21-15-13-20(14-16-21)35-27(37)22-10-5-6-12-25(22)34-19-8-3-2-4-9-19/h2-18,34H,1H2,(H,35,37)
InChIKeyInChI1.03VGOJUQQDRYARLG-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

PDB statisticsPDBj update infoContact PDBjnumon