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TCMDC-134739
FEATURES
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NAMES
  • TCMDC-134739
SMILES
Cc1cc(N[C@@H](CC(C)C)C(=O)NCc2cccs2)nc(Nc2ccccc2)n1.O=C(O)C(F)(F)F
InChI
InChI=1S/C22H27N5OS.C2HF3O2/c1-15(2)12-19(21(28)23-14-18-10-7-11-29-18)26-20-13-16(3)24-22(27-20)25-17-8-5-4-6-9-17;3-2(4,5)1(6)7/h4-11,13,15,19H,12,14H2,1-3H3,(H,23,28)(H2,24,25,26,27);(H,6,7)/t19-;/m0./s1
MOLECULAR FORMULA
C24H28F3N5O3S
CROSS REFERENCES
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TCMDC-134739

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 523.19
AlogP 5.37
HBond donors 4
HBond acceptors 8
Atoms 64
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-134739.