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

750860 - Overview - Compound Synopsis

Synonyms
6HE
Molecular Formula
C32H30FeN4O2
InChI
InChI=1S/C32H30N4O2.Fe/c1-8-21-18(5)26-12-27-20(7)23(10-11-32(37)38)31(36-27)14-25-17(4)16(3)24(33-25)13-29-22(9-2)19(6)28(35-29)15-30(21)34-26;/h8-9,12-15H,1-2,10-11H2,3-7H3,(H,37,38);/q-4;+4/b24-13-,25-14-,26-12-,27-12-,28-15-,29-13-,30-15-,31-14-;
Smiles
C=Cc1c(C)c2n3c1C=c1c(C)c(C)c4n1[Fe]31n3c(c(C)c(CCC(=O)O)c3C=4)C=c3c(C)c(C=C)c(n31)=C2
Cross References
UniChem1077696
canSAR750860
PDBe (Protein Data Bank Europe)6HE
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 558.17181372.61361669Yes


Compounds with the same scaffold


Image of compound ID: 750860
Murko Scaffold Family: 8 compoundsClick here to open a new canSAR search with these compounds

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