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TCMDC-132521
FEATURES
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NAMES
  • TCMDC-132521
SMILES
COc1ccc(-c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)cc1CN(C)CCO.O=C(O)C(F)(F)F
InChI
InChI=1S/C25H25N3O3.C2HF3O2/c1-28(13-14-29)17-22-15-21(9-12-24(22)31-2)19-7-10-23(11-8-19)27-25(30)20-5-3-18(16-26)4-6-20;3-2(4,5)1(6)7/h3-12,15,29H,13-14,17H2,1-2H3,(H,27,30);(H,6,7)
MOLECULAR FORMULA
C27H26F3N3O5
CROSS REFERENCES
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TCMDC-132521

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 529.18
AlogP 4.54
HBond donors 3
HBond acceptors 8
Atoms 64
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132521.