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3KB
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NAMES
  • 3KB
SMILES
COc1cn(-c2cccc(C(F)(F)F)c2)nc(-c2ccnn2-c2ccccc2)c1=O
InChI
InChI=1S/C21H15F3N4O2/c1-30-18-13-27(16-9-5-6-14(12-16)21(22,23)24)26-19(20(18)29)17-10-11-25-28(17)15-7-3-2-4-8-15/h2-13H,1H3
MOLECULAR FORMULA
C21H15F3N4O2
CROSS REFERENCES
  • UniChem: 31088182
  • canSAR: 1972385
  • PDBe (Protein Data Bank Europe): 3KB
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3KB

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 412.11
AlogP 4.11
HBond donors 0
HBond acceptors 6
Atoms 45
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3KB.