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TCMDC-133421
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NAMES
  • TCMDC-133421
SMILES
Nc1ncc(-c2ccc3ncccc3c2)c(N)n1.O=C(O)C(F)(F)F
InChI
InChI=1S/C13H11N5.C2HF3O2/c14-12-10(7-17-13(15)18-12)8-3-4-11-9(6-8)2-1-5-16-11;3-2(4,5)1(6)7/h1-7H,(H4,14,15,17,18);(H,6,7)
MOLECULAR FORMULA
C15H12F3N5O2
CROSS REFERENCES
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TCMDC-133421

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 351.09
AlogP 2.49
HBond donors 5
HBond acceptors 7
Atoms 37
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-133421.