HE5
FEATURES
Loading...
NAMES
  • HE5
SMILES
COC(=O)CCc1c(C)c2n3c1C=c1c(CCC(=O)OC)c(C)c4n1[Zn]31N3C(=C2)CC(C)C3=Cc2cc(C)c(n21)C=4
InChI
InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h12-17H,7-11H2,1-6H3;/q-4;+4/b22-14-,25-13-,28-15-,30-16-;
MOLECULAR FORMULA
C32H34N4O4Zn
CROSS REFERENCES
Loading...
HE5
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight602.19
AlogP3.32
HBond donors0
HBond acceptors8
Atoms75
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by HE5.