Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

212949 - Overview - Compound Synopsis

Synonyms
ORANTINIBOrantinib
SU-6668SU6
TSU-68
Molecular Formula
C18H18N2O3
InChI
InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
Smiles
Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
Cross References
UniChem542304
canSAR212949
ChEMBLCHEMBL274654
PDBe (Protein Data Bank Europe)SU6
BindingDB4811
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 310.1317424363.141443541Yes


Compounds with the same scaffold


Image of compound ID: 212949
Murko Scaffold Family: 1737 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12