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canSAR2020243
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NAMES
    SMILES
    COc1ccc(-c2c3c(nn2C)CCc2cnc(Nc4ccn(C)n4)nc2-3)cc1
    InChI
    InChI=1S/C21H21N7O/c1-27-11-10-17(26-27)23-21-22-12-14-6-9-16-18(19(14)24-21)20(28(2)25-16)13-4-7-15(29-3)8-5-13/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,22,23,24,26)
    MOLECULAR FORMULA
    C21H21N7O
    CROSS REFERENCES
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    canSAR2020243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.18
    AlogP 3.13
    HBond donors 1
    HBond acceptors 8
    Atoms 50
    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 canSAR2020243.