TCMDC-132923
FEATURES
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NAMES
  • TCMDC-132923
SMILES
O=C(O)C(F)(F)F.c1cc(CN2CCN(c3ccncc3)CC2)cc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChI
InChI=1S/C29H27N5.C2HF3O2/c1-2-10-28-27(9-1)31-29(32-28)25-8-4-7-24(20-25)23-6-3-5-22(19-23)21-33-15-17-34(18-16-33)26-11-13-30-14-12-26;3-2(4,5)1(6)7/h1-14,19-20H,15-18,21H2,(H,31,32);(H,6,7)
MOLECULAR FORMULA
C31H28F3N5O2
CROSS REFERENCES
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TCMDC-132923
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight559.22
AlogP6.25
HBond donors2
HBond acceptors7
Atoms69
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132923.