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canSAR74761
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NAMES
    SMILES
    CCc1nc2cc(OC3CCN(C(C)=N)CC3)ccc2n1Cc1ccc(-c2cccc(C(=N)N)c2)cc1
    InChI
    InChI=1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-13-15-35(16-14-25)20(2)31)11-12-28(27)36(29)19-21-7-9-22(10-8-21)23-5-4-6-24(17-23)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)
    MOLECULAR FORMULA
    C30H34N6O
    CROSS REFERENCES
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    canSAR74761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.28
    AlogP 5.44
    HBond donors 4
    HBond acceptors 7
    Atoms 71
    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 canSAR74761.