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canSAR1509328
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NAMES
    SMILES
    CCOc1ccccc1N1CCN(CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1
    InChI
    InChI=1S/C25H25ClN4O2S/c1-2-32-24-6-4-3-5-22(24)30-13-11-29(12-14-30)16-23(31)20(15-27)25-28-21(17-33-25)18-7-9-19(26)10-8-18/h3-10,17,31H,2,11-14,16H2,1H3
    MOLECULAR FORMULA
    C25H25ClN4O2S
    CROSS REFERENCES
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    canSAR1509328

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.14
    AlogP 5.48
    HBond donors 1
    HBond acceptors 6
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1509328.