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

754866 - Overview - Compound Synopsis

Synonyms
HDM
Molecular Formula
C36H36FeN4O4
InChI
InChI=1S/C36H36N4O4.Fe/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;/h9-10,15-18H,1-2,11-14H2,3-8H3;/q-4;+4/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-;
Smiles
C=Cc1c(C)c2n3c1C=c1c(C)c(CCC(=O)OC)c4n1[Fe@@]31n3c(c(C)c(CCC(=O)OC)c3C=4)C=c3c(C)c(C=C)c(n31)=C2
Cross References
UniChem639789
canSAR754866
PDBe (Protein Data Bank Europe)HDM
ChEMBLCHEMBL1233267
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 644.2085931322.499180881Yes


Compounds with the same scaffold


Image of compound ID: 754866
Murko Scaffold Family: 8 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12