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647
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NAMES
  • 647
SMILES
FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
InChI
InChI=1S/C21H17F3N4/c22-21(23,24)17-6-3-14(4-7-17)11-26-19-8-5-15(12-27-19)10-16-13-28-20-18(16)2-1-9-25-20/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27)
MOLECULAR FORMULA
C21H17F3N4
CROSS REFERENCES
  • UniChem: 29073543
  • canSAR: 1103842
  • PDBe (Protein Data Bank Europe): 647
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647

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 382.14
AlogP 5.18
HBond donors 2
HBond acceptors 4
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 647.