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canSAR1443691
FEATURES
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NAMES
    SMILES
    COc1ccc2c(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccc(S(C)(=O)=O)cc3)sc2c1
    InChI
    InChI=1S/C25H21NO6S2/c1-30-17-6-9-19-22(12-17)33-24(16-4-7-18(8-5-16)34(2,28)29)23(19)25(27)26-13-15-3-10-20-21(11-15)32-14-31-20/h3-12H,13-14H2,1-2H3,(H,26,27)
    MOLECULAR FORMULA
    C25H21NO6S2
    CROSS REFERENCES
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    canSAR1443691

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.08
    AlogP 4.64
    HBond donors 1
    HBond acceptors 7
    Atoms 55
    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 canSAR1443691.