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

1138381 - Overview - Compound Synopsis

Synonyms
1K0APABETALONE
ApabetaloneRVX-208
Molecular Formula
C20H22N2O5
InChI
InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
Smiles
COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1
Cross References
UniChem29661397
canSAR1138381
PDBe (Protein Data Bank Europe)1K0
ChEMBLCHEMBL2393130
BindingDB50103503
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 370.1528718042.595242749Yes


Compounds with the same scaffold


Image of compound ID: 1138381
Murko Scaffold Family: 529 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12