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canSAR1831009
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NAMES
    SMILES
    COc1ccc(Cn2nnnc2C(c2ccccn2)N2CCN(c3cc(Cl)ccc3C)CC2)cc1
    InChI
    InChI=1S/C26H28ClN7O/c1-19-6-9-21(27)17-24(19)32-13-15-33(16-14-32)25(23-5-3-4-12-28-23)26-29-30-31-34(26)18-20-7-10-22(35-2)11-8-20/h3-12,17,25H,13-16,18H2,1-2H3
    MOLECULAR FORMULA
    C26H28ClN7O
    CROSS REFERENCES
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    canSAR1831009

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.20
    AlogP 4.00
    HBond donors 0
    HBond acceptors 8
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1831009.