TCMDC-135986
FEATURES
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NAMES
  • TCMDC-135986
SMILES
COc1ccc(CN2CCCN(Cc3cccc(C(=O)Nc4ccc(C(C)(C)C)cc4)c3)CC2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C31H39N3O2.C2HF3O2/c1-31(2,3)27-11-13-28(14-12-27)32-30(35)26-8-5-7-25(21-26)23-34-18-6-17-33(19-20-34)22-24-9-15-29(36-4)16-10-24;3-2(4,5)1(6)7/h5,7-16,21H,6,17-20,22-23H2,1-4H3,(H,32,35);(H,6,7)
MOLECULAR FORMULA
C33H40F3N3O4
CROSS REFERENCES
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TCMDC-135986
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight599.30
AlogP6.59
HBond donors2
HBond acceptors7
Atoms83
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-135986.