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2DU
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NAMES
  • 2DU
SMILES
COc1ccc2c(c1)cc(C(=O)NS(=O)(=O)Cc1ccccc1)n2CC(=O)O
InChI
InChI=1S/C19H18N2O6S/c1-27-15-7-8-16-14(9-15)10-17(21(16)11-18(22)23)19(24)20-28(25,26)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,24)(H,22,23)
MOLECULAR FORMULA
C19H18N2O6S
CROSS REFERENCES
  • UniChem: 81133685
  • canSAR: 1443262
  • PDBe (Protein Data Bank Europe): 2DU
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2DU

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 402.09
AlogP 1.99
HBond donors 2
HBond acceptors 8
Atoms 46
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 2DU.