TCMDC-134800
FEATURES
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NAMES
  • TCMDC-134800
SMILES
COc1ccccc1CCNc1nc(C)cc(NCCC(=O)Nc2ccccc2)n1.O=C(O)C(F)(F)F
InChI
InChI=1S/C23H27N5O2.C2HF3O2/c1-17-16-21(24-15-13-22(29)27-19-9-4-3-5-10-19)28-23(26-17)25-14-12-18-8-6-7-11-20(18)30-2;3-2(4,5)1(6)7/h3-11,16H,12-15H2,1-2H3,(H,27,29)(H2,24,25,26,28);(H,6,7)
MOLECULAR FORMULA
C25H28F3N5O4
CROSS REFERENCES
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TCMDC-134800
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight519.21
AlogP4.52
HBond donors4
HBond acceptors9
Atoms65
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-134800.