TCMDC-139391
FEATURES
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NAMES
  • TCMDC-139391
SMILES
CSc1ccccc1NC(=S)NC1CCN(CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1
InChI
InChI=1S/C27H34Cl2N4OS2/c1-36-25-8-4-3-7-24(25)32-27(35)31-21-13-17-33(18-14-21)16-6-2-5-15-30-26(34)12-10-20-9-11-22(28)23(29)19-20/h3-4,7-12,19,21H,2,5-6,13-18H2,1H3,(H,30,34)(H2,31,32,35)/b12-10+
MOLECULAR FORMULA
C27H34Cl2N4OS2
CROSS REFERENCES
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TCMDC-139391
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight564.16
AlogP6.47
HBond donors3
HBond acceptors5
Atoms70
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-139391.