TCMDC-133851
FEATURES
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NAMES
  • TCMDC-133851
SMILES
CN1CCC(N2CCN(Cc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)cc3)CC2)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C28H33N5S.C2HF3O2/c1-31-14-12-23(13-15-31)33-18-16-32(17-19-33)20-21-6-8-22(9-7-21)26-10-11-27(34-26)28-29-24-4-2-3-5-25(24)30-28;3-2(4,5)1(6)7/h2-11,23H,12-20H2,1H3,(H,29,30);(H,6,7)
MOLECULAR FORMULA
C30H34F3N5O2S
CROSS REFERENCES
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TCMDC-133851
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight585.24
AlogP5.80
HBond donors2
HBond acceptors7
Atoms75
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-133851.