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TCMDC-133828
FEATURES
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NAMES
  • TCMDC-133828
SMILES
CC1CN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CC(C)O1.O=C(O)C(F)(F)F
InChI
InChI=1S/C26H27N3O.C2HF3O2/c1-18-15-29(16-19(2)30-18)17-20-7-9-21(10-8-20)22-11-13-23(14-12-22)26-27-24-5-3-4-6-25(24)28-26;3-2(4,5)1(6)7/h3-14,18-19H,15-17H2,1-2H3,(H,27,28);(H,6,7)
MOLECULAR FORMULA
C28H28F3N3O3
CROSS REFERENCES
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TCMDC-133828

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 511.21
AlogP 6.14
HBond donors 2
HBond acceptors 6
Atoms 65
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-133828.