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

749762 - Overview - Compound Synopsis

Synonyms
HDD
Molecular Formula
C34H32FeN4O5
InChI
InChI=1S/C34H32N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,42H,1-2,9-12H2,3-6H3,(H,39,40);/q-4;+4/b23-13-,26-14-,29-15-,30-16-;/t33-,34+;/m0./s1
Smiles
C=Cc1c(C)c2n3c1C=C1N4C(=Cc5c(CCC(=O)O)c(C)c6n5[Fe]43n3c(c(C)c(C=C)c3=C2)=C6)[C@]2(CCC(=O)O2)[C@@]1(C)O
Cross References
UniChem651559
canSAR749762
ChEMBLCHEMBL1233263
PDBe (Protein Data Bank Europe)HDD
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 632.1722076243.213962976Yes


Compounds with the same scaffold


Image of compound ID: 749762
Murko Scaffold Family: 17 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12