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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 weight 533.19
AlogP 6.83
HBond donors 3
HBond acceptors 6
Atoms 65
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-132546.