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1DK
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NAMES
  • 1DK
SMILES
Cc1cc(C)c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccc(CC(=O)O)cc2)cc1C
InChI
InChI=1S/C26H23NO5S/c1-14-11-16(3)19(12-15(14)2)23-22(24(30)20-5-4-10-33-20)25(31)26(32)27(23)18-8-6-17(7-9-18)13-21(28)29/h4-12,23,31H,13H2,1-3H3,(H,28,29)/t23-/m1/s1
MOLECULAR FORMULA
C26H23NO5S
CROSS REFERENCES
  • UniChem: 69466226
  • canSAR: 1148290
  • PDBe (Protein Data Bank Europe): 1DK
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1DK

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 461.13
AlogP 5.08
HBond donors 2
HBond acceptors 6
Atoms 56
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 1DK.