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

754542 - Overview - Compound Synopsis

Synonyms
NE6
Molecular Formula
C23H31NO6
InChI
InChI=1S/C23H31NO6/c1-6-9-15(2)11-12-17(4)21(26)20-18(25)14-19(30-22(20)27)16(3)10-7-8-13-24-23(28)29-5/h11-14,16,20H,6-10H2,1-5H3/b15-11+,17-12+,24-13+/t16-,20?/m1/s1
Smiles
CCC/C(C)=C/C=C(\C)C(=O)C1C(=O)C=C(C(C)CCC/C=N/C(=O)OC)OC1=O
Cross References
UniChem1077193
canSAR754542
PDBe (Protein Data Bank Europe)NE6
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 417.2151377124.51780761Yes


Compounds with the same scaffold


Image of compound ID: 754542
Murko Scaffold Family: 3 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12