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canSAR1516523
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NAMES
    SMILES
    CN(C)Cc1c(C(=O)N/N=C/CCc2ccccc2)nnn1-c1nonc1N
    InChI
    InChI=1S/C17H21N9O2/c1-25(2)11-13-14(20-24-26(13)16-15(18)22-28-23-16)17(27)21-19-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,10H,6,9,11H2,1-2H3,(H2,18,22)(H,21,27)/b19-10+
    MOLECULAR FORMULA
    C17H21N9O2
    CROSS REFERENCES
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    canSAR1516523

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.18
    AlogP 0.64
    HBond donors 3
    HBond acceptors 11
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1516523.