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TCMDC-136689
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NAMES
  • TCMDC-136689
SMILES
CN1CCN(c2ccc(CNc3ccc4ncc(-c5ccc(OC(F)(F)F)cc5)n4n3)cc2)CC1
InChI
InChI=1S/C25H25F3N6O/c1-32-12-14-33(15-13-32)20-6-2-18(3-7-20)16-29-23-10-11-24-30-17-22(34(24)31-23)19-4-8-21(9-5-19)35-25(26,27)28/h2-11,17H,12-16H2,1H3,(H,29,31)
MOLECULAR FORMULA
C25H25F3N6O
CROSS REFERENCES
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TCMDC-136689

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 482.20
AlogP 4.66
HBond donors 1
HBond acceptors 7
Atoms 60
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-136689.