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TCMDC-134486
FEATURES
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NAMES
  • TCMDC-134486
SMILES
CN(C)c1ccc(-c2csc(C(=O)NCC3CCN(Cc4cccc(C(F)(F)F)c4)C3)c2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C26H28F3N3OS.C2HF3O2/c1-31(2)23-8-6-20(7-9-23)21-13-24(34-17-21)25(33)30-14-19-10-11-32(16-19)15-18-4-3-5-22(12-18)26(27,28)29;3-2(4,5)1(6)7/h3-9,12-13,17,19H,10-11,14-16H2,1-2H3,(H,30,33);(H,6,7)
MOLECULAR FORMULA
C28H29F6N3O3S
CROSS REFERENCES
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TCMDC-134486

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 601.18
AlogP 6.39
HBond donors 2
HBond acceptors 6
Atoms 70
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-134486.