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canSAR165095
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NAMES
    SMILES
    O=C(NCc1ccc2ccccc2n1)c1ccc(OCCCc2nnn[nH]2)cc1
    InChI
    InChI=1S/C21H20N6O2/c28-21(22-14-17-10-7-15-4-1-2-5-19(15)23-17)16-8-11-18(12-9-16)29-13-3-6-20-24-26-27-25-20/h1-2,4-5,7-12H,3,6,13-14H2,(H,22,28)(H,24,25,26,27)
    MOLECULAR FORMULA
    C21H20N6O2
    CROSS REFERENCES
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    canSAR165095

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.16
    AlogP 2.69
    HBond donors 2
    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 canSAR165095.