TCMDC-136447
FEATURES
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NAMES
  • TCMDC-136447
SMILES
CCc1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccs4)CC3)cc2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C26H31N3OS.C2HF3O2/c1-2-21-8-12-24(13-9-21)27-26(30)23-10-6-22(7-11-23)19-28-14-4-15-29(17-16-28)20-25-5-3-18-31-25;3-2(4,5)1(6)7/h3,5-13,18H,2,4,14-17,19-20H2,1H3,(H,27,30);(H,6,7)
MOLECULAR FORMULA
C28H32F3N3O3S
CROSS REFERENCES
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TCMDC-136447
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight547.21
AlogP5.90
HBond donors2
HBond acceptors6
Atoms70
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-136447.