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canSAR790040
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NAMES
    SMILES
    N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]cc(C4CC4)c23)CC1
    InChI
    InChI=1S/C22H25ClN6O/c23-16-5-1-14(2-6-16)11-18(24)22(30)29-9-7-28(8-10-29)21-19-17(15-3-4-15)12-25-20(19)26-13-27-21/h1-2,5-6,12-13,15,18H,3-4,7-11,24H2,(H,25,26,27)/t18-/m1/s1
    MOLECULAR FORMULA
    C22H25ClN6O
    CROSS REFERENCES
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    canSAR790040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.18
    AlogP 2.71
    HBond donors 3
    HBond acceptors 7
    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 canSAR790040.