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canSAR2063427
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NAMES
    SMILES
    COc1nn(C2CCN(C(C)=O)CC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
    InChI
    InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
    MOLECULAR FORMULA
    C22H23ClN8O2
    CROSS REFERENCES
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    canSAR2063427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.16
    AlogP 3.58
    HBond donors 1
    HBond acceptors 10
    Atoms 56
    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 canSAR2063427.