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canSAR1646789
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NAMES
    SMILES
    O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CCN(c2ccccn2)CC1
    InChI
    InChI=1S/C21H20N6O2/c28-19(26-11-9-25(10-12-26)18-7-3-4-8-22-18)14-27-21(29)20-16(13-23-27)15-5-1-2-6-17(15)24-20/h1-8,13,29H,9-12,14H2
    MOLECULAR FORMULA
    C21H20N6O2
    CROSS REFERENCES
    1646789 logo

    canSAR1646789

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.16
    AlogP 1.99
    HBond donors 1
    HBond acceptors 8
    Atoms 49
    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 canSAR1646789.