752023 logo
7HE
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • 7HE
SMILES
C=Cc1c(C)c2n3c1C=c1c(C)c(CCC(=O)O)c4n1[Fe]31n3c(c(C)c(C)c3C=4)C=c3c(C)c(C=C)c(n31)=C2
InChI
InChI=1S/C32H30N4O2.Fe/c1-8-21-18(5)26-12-24-16(3)17(4)25(33-24)13-31-23(10-11-32(37)38)20(7)28(36-31)15-30-22(9-2)19(6)27(35-30)14-29(21)34-26;/h8-9,12-15H,1-2,10-11H2,3-7H3,(H,37,38);/q-4;+4/b24-12-,25-13-,26-12-,27-14-,28-15-,29-14-,30-15-,31-13-;
MOLECULAR FORMULA
C32H30FeN4O2
CROSS REFERENCES
  • UniChem: 1077282
  • canSAR: 752023
  • PDBe (Protein Data Bank Europe): 7HE
752023 logo

7HE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 558.17
AlogP 2.61
HBond donors 1
HBond acceptors 6
Atoms 69
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 7HE.