TCMDC-132546
FEATURES
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NAMES
  • TCMDC-132546
SMILES
COc1ccc(CNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C28H25N3O.C2HF3O2/c1-32-25-15-11-21(12-16-25)19-29-18-20-9-13-22(14-10-20)23-5-4-6-24(17-23)28-30-26-7-2-3-8-27(26)31-28;3-2(4,5)1(6)7/h2-17,29H,18-19H2,1H3,(H,30,31);(H,6,7)
MOLECULAR FORMULA
C30H26F3N3O3
CROSS REFERENCES
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TCMDC-132546
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight533.19
AlogP6.83
HBond donors3
HBond acceptors6
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-132546.