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DIW
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NAMES
  • DIW
SMILES
CN1/C(=C/C=C/c2cc[n+](CCCS(=O)(=O)O)c3ccccc23)C(C)(C)c2ccccc21
InChI
InChI=1S/C26H28N2O3S/c1-26(2)22-12-5-7-14-24(22)27(3)25(26)15-8-10-20-16-18-28(17-9-19-32(29,30)31)23-13-6-4-11-21(20)23/h4-8,10-16,18H,9,17,19H2,1-3H3/p+1
MOLECULAR FORMULA
C26H29N2O3S+
CROSS REFERENCES
  • UniChem: 27265363
  • canSAR: 1017460
  • PDBe (Protein Data Bank Europe): DIW
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DIW

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 449.19
AlogP 4.73
HBond donors 1
HBond acceptors 5
Atoms 61
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 DIW.