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canSAR1492587
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NAMES
    SMILES
    COc1ccc2oc(=O)c(/C(C)=N/Nc3nc(-c4cc(C)ccc4C)cs3)cc2c1
    InChI
    InChI=1S/C23H21N3O3S/c1-13-5-6-14(2)18(9-13)20-12-30-23(24-20)26-25-15(3)19-11-16-10-17(28-4)7-8-21(16)29-22(19)27/h5-12H,1-4H3,(H,24,26)/b25-15+
    MOLECULAR FORMULA
    C23H21N3O3S
    CROSS REFERENCES
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    canSAR1492587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.13
    AlogP 5.38
    HBond donors 1
    HBond acceptors 6
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1492587.