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canSAR1636695
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NAMES
    SMILES
    Cc1ccc(/C=C/c2onc(C)c2S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1
    InChI
    InChI=1S/C23H31N3O4S/c1-16-6-8-18(9-7-16)10-11-20-21(17(2)25-30-20)31(28,29)26-14-12-19(13-15-26)22(27)24-23(3,4)5/h6-11,19H,12-15H2,1-5H3,(H,24,27)/b11-10+
    MOLECULAR FORMULA
    C23H31N3O4S
    CROSS REFERENCES
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    canSAR1636695

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.20
    AlogP 3.78
    HBond donors 1
    HBond acceptors 7
    Atoms 62
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1636695.