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2DJ
FEATURES
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NAMES
  • 2DJ
SMILES
COc1ccc2c(c1)cc(C(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1)n2CC(=O)O
InChI
InChI=1S/C22H24N2O6S/c1-22(2,3)15-5-8-17(9-6-15)31(28,29)23-21(27)19-12-14-11-16(30-4)7-10-18(14)24(19)13-20(25)26/h5-12H,13H2,1-4H3,(H,23,27)(H,25,26)
MOLECULAR FORMULA
C22H24N2O6S
CROSS REFERENCES
  • UniChem: 81133681
  • canSAR: 1974196
  • PDBe (Protein Data Bank Europe): 2DJ
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2DJ

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 444.14
AlogP 3.15
HBond donors 2
HBond acceptors 8
Atoms 55
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 2DJ.