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

751376 - Overview - Compound Synopsis

Synonyms
HE5
Molecular Formula
C32H34N4O4Zn
InChI
InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h12-17H,7-11H2,1-6H3;/q-4;+4/b22-14-,25-13-,28-15-,30-16-;
Smiles
COC(=O)CCc1c(C)c2n3c1C=c1c(CCC(=O)OC)c(C)c4n1[Zn]31N3C(=C2)CC(C)C3=Cc2cc(C)c(n21)C=4
Cross References
UniChem1077788
canSAR751376
PDBe (Protein Data Bank Europe)HE5
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 602.1871477683.321360875Yes


Compounds with the same scaffold


Image of compound ID: 751376
Murko Scaffold Family: 3 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12