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HTS-00117
FEATURES
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NAMES
  • HTS-00117
SMILES
CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(OC)cc1
InChI
InChI=1S/C21H28N2O6S/c1-4-28-20-15-19(23-10-12-27-13-11-23)21(29-5-2)14-18(20)22-30(24,25)17-8-6-16(26-3)7-9-17/h6-9,14-15,22H,4-5,10-13H2,1-3H3
MOLECULAR FORMULA
C21H28N2O6S
CROSS REFERENCES
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HTS-00117

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 436.17
AlogP 3.13
HBond donors 1
HBond acceptors 8
Atoms 58
Contains toxicophore No
Contains PAINS Yes
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by HTS-00117.