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TCMDC-132821
FEATURES
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NAMES
  • TCMDC-132821
SMILES
CN(CCN)Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C22H21F3N4S.C2HF3O2/c1-29(11-10-26)13-14-2-4-15(5-3-14)19-8-9-20(30-19)21-27-17-7-6-16(22(23,24)25)12-18(17)28-21;3-2(4,5)1(6)7/h2-9,12H,10-11,13,26H2,1H3,(H,27,28);(H,6,7)
MOLECULAR FORMULA
C24H22F6N4O2S
CROSS REFERENCES
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TCMDC-132821

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 544.14
AlogP 6.00
HBond donors 4
HBond acceptors 6
Atoms 59
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-132821.