TCMDC-133112
FEATURES
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NAMES
  • TCMDC-133112
SMILES
N#Cc1ccc(N2CCN(Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)nc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C31H25F3N6.C2HF3O2/c32-31(33,34)26-9-10-27-28(17-26)38-30(37-27)24-7-5-23(6-8-24)25-3-1-2-21(16-25)20-39-12-14-40(15-13-39)29-11-4-22(18-35)19-36-29;3-2(4,5)1(6)7/h1-11,16-17,19H,12-15,20H2,(H,37,38);(H,6,7)
MOLECULAR FORMULA
C33H26F6N6O2
CROSS REFERENCES
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TCMDC-133112
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight652.20
AlogP7.14
HBond donors2
HBond acceptors8
Atoms73
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-133112.