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canSAR1951816
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NAMES
    SMILES
    COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(N(C)C)cc2)s1
    InChI
    InChI=1S/C24H25N4OS/c1-17-10-15-22(29-4)21(16-17)25-24-26-28(20-8-6-5-7-9-20)23(30-24)18-11-13-19(14-12-18)27(2)3/h5-16H,1-4H3,(H,25,26)/q+1
    MOLECULAR FORMULA
    C24H25N4OS+
    CROSS REFERENCES
    1951816 logo

    canSAR1951816

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.17
    AlogP 5.21
    HBond donors 1
    HBond acceptors 5
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1951816.