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0NB
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NAMES
  • 0NB
SMILES
O=S(=O)(NCB(O)O)c1ccc(-c2nnn[nH]2)c(Cl)c1
InChI
InChI=1S/C8H9BClN5O4S/c10-7-3-5(20(18,19)11-4-9(16)17)1-2-6(7)8-12-14-15-13-8/h1-3,11,16-17H,4H2,(H,12,13,14,15)
MOLECULAR FORMULA
C8H9BClN5O4S
CROSS REFERENCES
  • UniChem: 27265771
  • canSAR: 1016717
  • PDBe (Protein Data Bank Europe): 0NB
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0NB

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 317.02
AlogP -1.19
HBond donors 4
HBond acceptors 9
Atoms 29
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 0NB.