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canSAR1129968
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NAMES
    SMILES
    COc1ccc(C(Nc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)c2nnnn2C(C)(C)C)cc1
    InChI
    InChI=1S/C28H28ClN7O/c1-28(2,3)36-27(33-34-35-36)26(18-5-12-22(37-4)13-6-18)32-21-10-8-20(9-11-21)31-24-15-16-30-25-17-19(29)7-14-23(24)25/h5-17,26,32H,1-4H3,(H,30,31)
    MOLECULAR FORMULA
    C28H28ClN7O
    CROSS REFERENCES
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    canSAR1129968

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.20
    AlogP 6.58
    HBond donors 2
    HBond acceptors 8
    Atoms 65
    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 canSAR1129968.