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canSAR501660
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NAMES
    SMILES
    COc1ccc(C(=O)Nc2nc(NCc3ccc(Cl)cc3)c3ncn(C(C)C)c3n2)cc1
    InChI
    InChI=1S/C23H23ClN6O2/c1-14(2)30-13-26-19-20(25-12-15-4-8-17(24)9-5-15)27-23(28-21(19)30)29-22(31)16-6-10-18(32-3)11-7-16/h4-11,13-14H,12H2,1-3H3,(H2,25,27,28,29,31)
    MOLECULAR FORMULA
    C23H23ClN6O2
    CROSS REFERENCES
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    canSAR501660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.16
    AlogP 4.93
    HBond donors 2
    HBond acceptors 8
    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 canSAR501660.