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canSAR1092793
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NAMES
    SMILES
    COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccn2C)cc1
    InChI
    InChI=1S/C24H30N4O3S/c1-17-15-28(16-18(2)25-17)20-9-12-24(31-4)22(14-20)26-32(29,30)21-10-7-19(8-11-21)23-6-5-13-27(23)3/h5-14,17-18,25-26H,15-16H2,1-4H3/t17-,18+
    MOLECULAR FORMULA
    C24H30N4O3S
    CROSS REFERENCES
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    canSAR1092793

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.20
    AlogP 3.69
    HBond donors 2
    HBond acceptors 7
    Atoms 62
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1092793.