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TCMDC-133973
FEATURES
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NAMES
  • TCMDC-133973
SMILES
CC(C)CCN1CCC(Oc2ccc(NC(=O)c3ccsc3)cc2Cl)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C21H27ClN2O2S.C2HF3O2/c1-15(2)5-9-24-10-6-18(7-11-24)26-20-4-3-17(13-19(20)22)23-21(25)16-8-12-27-14-16;3-2(4,5)1(6)7/h3-4,8,12-15,18H,5-7,9-11H2,1-2H3,(H,23,25);(H,6,7)
MOLECULAR FORMULA
C23H28ClF3N2O4S
CROSS REFERENCES
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TCMDC-133973

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 520.14
AlogP 6.18
HBond donors 2
HBond acceptors 6
Atoms 62
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-133973.