TCMDC-132942
FEATURES
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NAMES
  • TCMDC-132942
SMILES
Nc1cccc(CNCc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H24N4.C2HF3O2/c28-24-11-4-7-20(15-24)18-29-17-19-6-3-8-21(14-19)22-9-5-10-23(16-22)27-30-25-12-1-2-13-26(25)31-27;3-2(4,5)1(6)7/h1-16,29H,17-18,28H2,(H,30,31);(H,6,7)
MOLECULAR FORMULA
C29H25F3N4O2
CROSS REFERENCES
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TCMDC-132942
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight518.19
AlogP6.40
HBond donors5
HBond acceptors6
Atoms63
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132942.