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canSAR112761
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NAMES
    SMILES
    Cc1cc(C)c(-n2c3ncccc3n3c(CN(C)Cc4ccncc4)c(C)nc23)c(Cl)c1
    InChI
    InChI=1S/C25H25ClN6/c1-16-12-17(2)23(20(26)13-16)32-24-21(6-5-9-28-24)31-22(18(3)29-25(31)32)15-30(4)14-19-7-10-27-11-8-19/h5-13H,14-15H2,1-4H3
    MOLECULAR FORMULA
    C25H25ClN6
    CROSS REFERENCES
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    canSAR112761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.18
    AlogP 5.28
    HBond donors 0
    HBond acceptors 6
    Atoms 57
    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 canSAR112761.