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

753537 - Overview - Compound Synopsis

Synonyms
HEC
Molecular Formula
C34H34FeN4O4
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
Smiles
CC=c1c(C)c2n3c1=Cc1c(C)c(CCC(=O)O)c4n1[Fe]31n3c(c(C)c(=CC)c3=C2)C=c2c(C)c(CCC(=O)O)c(n21)=C4
Cross References
UniChem982504
canSAR753537
PDBe (Protein Data Bank Europe)HEC
ChEMBLCHEMBL1614987
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 618.1929430680.637182877No


Compounds with the same scaffold


Image of compound ID: 753537
Murko Scaffold Family: 12 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12