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N79
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NAMES
  • N79
SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C2O[B-]3(OCc4ccccc43)OC21
InChI
InChI=1S/C17H18BN5O8P/c19-15-12-16(21-7-20-15)23(8-22-12)17-14-13(11(29-17)6-28-32(24,25)26)30-18(31-14)10-4-2-1-3-9(10)5-27-18/h1-4,7-8,11,13-14,17H,5-6H2,(H2,19,20,21)(H2,24,25,26)/q-1/t11-,13-,14-,17-,18+/m1/s1
MOLECULAR FORMULA
C17H18BN5O8P-
CROSS REFERENCES
  • UniChem: 82237620
  • canSAR: 1016740
  • PDBe (Protein Data Bank Europe): N79
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N79

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 462.10
AlogP -0.42
HBond donors 4
HBond acceptors 13
Atoms 50
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 N79.