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58J
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NAMES
  • 58J
SMILES
COc1ccc(/C=C2/C(=O)Nc3ccccc3C(=O)N2C)cc1
InChI
InChI=1S/C18H16N2O3/c1-20-16(11-12-7-9-13(23-2)10-8-12)17(21)19-15-6-4-3-5-14(15)18(20)22/h3-11H,1-2H3,(H,19,21)/b16-11-
MOLECULAR FORMULA
C18H16N2O3
CROSS REFERENCES
  • UniChem: 101789668
  • canSAR: 1976041
  • PDBe (Protein Data Bank Europe): 58J
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58J

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 308.12
AlogP 2.76
HBond donors 1
HBond acceptors 5
Atoms 39
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 58J.