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2CN
FEATURES
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NAMES
  • 2CN
SMILES
CCCCCCCCOc1cccc(CSc2ccc(Br)cc2C(=O)O)c1
InChI
InChI=1S/C22H27BrO3S/c1-2-3-4-5-6-7-13-26-19-10-8-9-17(14-19)16-27-21-12-11-18(23)15-20(21)22(24)25/h8-12,14-15H,2-7,13,16H2,1H3,(H,24,25)
MOLECULAR FORMULA
C22H27BrO3S
CROSS REFERENCES
  • UniChem: 27265067
  • canSAR: 1016682
  • PDBe (Protein Data Bank Europe): 2CN
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2CN

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 450.09
AlogP 7.18
HBond donors 1
HBond acceptors 3
Atoms 54
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 2CN.