TCMDC-132253
FEATURES
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NAMES
  • TCMDC-132253
SMILES
COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NCc2ccccc2)s1.O=C(O)C(F)(F)F
InChI
InChI=1S/C25H31N3O3S2.C2HF3O2/c1-28-14-12-21(13-15-28)26-17-20-8-9-23(31-2)22(16-20)24-10-11-25(32-24)33(29,30)27-18-19-6-4-3-5-7-19;3-2(4,5)1(6)7/h3-11,16,21,26-27H,12-15,17-18H2,1-2H3;(H,6,7)
MOLECULAR FORMULA
C27H32F3N3O5S2
CROSS REFERENCES
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TCMDC-132253
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight599.17
AlogP4.72
HBond donors3
HBond acceptors8
Atoms72
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132253.