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canSAR1095108
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NAMES
    SMILES
    CCOC(=O)/C(C#N)=C/C(C(=O)N1c2ccccc2Sc2ccc(Cl)cc21)[n+]1ccc(N(C)C)cc1
    InChI
    InChI=1S/C27H24ClN4O3S/c1-4-35-27(34)18(17-29)15-23(31-13-11-20(12-14-31)30(2)3)26(33)32-21-7-5-6-8-24(21)36-25-10-9-19(28)16-22(25)32/h5-16,23H,4H2,1-3H3/q+1/b18-15+
    MOLECULAR FORMULA
    C27H24ClN4O3S+
    CROSS REFERENCES
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    canSAR1095108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.13
    AlogP 5.08
    HBond donors 0
    HBond acceptors 7
    Atoms 60
    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 canSAR1095108.