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TCMDC-133894
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NAMES
  • TCMDC-133894
SMILES
CC(=O)N(C)C1CCN(Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C1.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H27FN4O.C2HF3O2/c1-18(33)31(2)24-12-13-32(17-24)16-19-4-3-5-22(14-19)20-6-8-21(9-7-20)27-29-25-11-10-23(28)15-26(25)30-27;3-2(4,5)1(6)7/h3-11,14-15,24H,12-13,16-17H2,1-2H3,(H,29,30);(H,6,7)
MOLECULAR FORMULA
C29H28F4N4O3
CROSS REFERENCES
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TCMDC-133894

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 556.21
AlogP 5.72
HBond donors 2
HBond acceptors 7
Atoms 68
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-133894.