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canSAR1726771
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C2\S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)ccc1OC(C)C(=O)O
    InChI
    InChI=1S/C25H27N3O6S/c1-16(24(30)31)34-20-9-4-17(14-21(20)32-3)15-22-23(29)27(2)25(35-22)26-18-5-7-19(8-6-18)28-10-12-33-13-11-28/h4-9,14-16H,10-13H2,1-3H3,(H,30,31)/b22-15-,26-25-
    MOLECULAR FORMULA
    C25H27N3O6S
    CROSS REFERENCES
    1726771 logo

    canSAR1726771

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.16
    AlogP 3.62
    HBond donors 1
    HBond acceptors 9
    Atoms 62
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1726771.