TCMDC-133740
FEATURES
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NAMES
  • TCMDC-133740
SMILES
O=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1cccs1.O=C(O)C(F)(F)F
InChI
InChI=1S/C21H21ClN2O2S2.C2HF3O2/c22-18-12-16(23-21(25)20-2-1-10-28-20)3-4-19(18)26-17-5-8-24(9-6-17)13-15-7-11-27-14-15;3-2(4,5)1(6)7/h1-4,7,10-12,14,17H,5-6,8-9,13H2,(H,23,25);(H,6,7)
MOLECULAR FORMULA
C23H22ClF3N2O4S2
CROSS REFERENCES
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TCMDC-133740
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight546.07
AlogP6.39
HBond donors2
HBond acceptors6
Atoms57
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-133740.