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canSAR2015386
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NAMES
    SMILES
    COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4OC)n3)CC2)c1
    InChI
    InChI=1S/C22H27N7O2/c1-30-17-7-5-6-16(14-17)29-12-10-28(11-13-29)15-20-25-21(23)27-22(26-20)24-18-8-3-4-9-19(18)31-2/h3-9,14H,10-13,15H2,1-2H3,(H3,23,24,25,26,27)
    MOLECULAR FORMULA
    C22H27N7O2
    CROSS REFERENCES
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    canSAR2015386

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.22
    AlogP 2.54
    HBond donors 3
    HBond acceptors 9
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2015386.