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TCMDC-132979
FEATURES
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NAMES
  • TCMDC-132979
SMILES
CNc1ccc(CNCc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)c2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C29H28N4.C2HF3O2/c1-20-5-3-8-27-28(20)33-29(32-27)24-13-11-23(12-14-24)25-7-4-6-22(17-25)19-31-18-21-9-15-26(30-2)16-10-21;3-2(4,5)1(6)7/h3-17,30-31H,18-19H2,1-2H3,(H,32,33);(H,6,7)
MOLECULAR FORMULA
C31H29F3N4O2
CROSS REFERENCES
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TCMDC-132979

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 546.22
AlogP 7.17
HBond donors 4
HBond acceptors 6
Atoms 69
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-132979.