TCMDC-139579
FEATURES
Loading...
NAMES
  • TCMDC-139579
SMILES
OC(C=Cc1ccc(Cl)c(Cl)c1)=NCCCCCN1CCCC(CCCN=C(O)c2sc3ccccc3c2Cl)C1
InChI
InChI=1S/C31H36Cl3N3O2S/c32-25-14-12-22(20-26(25)33)13-15-28(38)35-16-4-1-5-18-37-19-7-9-23(21-37)8-6-17-36-31(39)30-29(34)24-10-2-3-11-27(24)40-30/h2-3,10-15,20,23H,1,4-9,16-19,21H2,(H,35,38)(H,36,39)
MOLECULAR FORMULA
C31H36Cl3N3O2S
CROSS REFERENCES
Loading...
TCMDC-139579
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight619.16
AlogP9.50
HBond donors2
HBond acceptors5
Atoms76
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-139579.