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0B6
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NAMES
  • 0B6
SMILES
CC1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C=C(CF)OC(N)=N1
InChI
InChI=1S/C19H15F2N5O2/c1-19(7-13(8-20)28-18(23)26-19)14-6-12(3-4-15(14)21)25-17(27)16-5-2-11(9-22)10-24-16/h2-7,10H,8H2,1H3,(H2,23,26)(H,25,27)/t19-/m0/s1
MOLECULAR FORMULA
C19H15F2N5O2
CROSS REFERENCES
  • UniChem: 32410772
  • canSAR: 2144556
  • PDBe (Protein Data Bank Europe): 0B6
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0B6

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 383.12
AlogP 2.76
HBond donors 3
HBond acceptors 7
Atoms 43
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 0B6.