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canSAR1409079
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NAMES
    SMILES
    CCOc1ccc2nc(N(CCN(C)C)C(=O)/C=C/c3cccs3)sc2c1.Cl
    InChI
    InChI=1S/C20H23N3O2S2.ClH/c1-4-25-15-7-9-17-18(14-15)27-20(21-17)23(12-11-22(2)3)19(24)10-8-16-6-5-13-26-16;/h5-10,13-14H,4,11-12H2,1-3H3;1H/b10-8+;
    MOLECULAR FORMULA
    C20H24ClN3O2S2
    CROSS REFERENCES
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    canSAR1409079

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.10
    AlogP 4.79
    HBond donors 0
    HBond acceptors 5
    Atoms 52
    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 canSAR1409079.