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canSAR1068092
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NAMES
    SMILES
    CN1CCOC(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)C1
    InChI
    InChI=1S/C21H21N5O2/c1-26-7-8-28-20(12-26)21(27)24-18-9-13(10-19-16(18)11-23-25-19)14-3-2-4-17-15(14)5-6-22-17/h2-6,9-11,20,22H,7-8,12H2,1H3,(H,23,25)(H,24,27)
    MOLECULAR FORMULA
    C21H21N5O2
    CROSS REFERENCES
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    canSAR1068092

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 375.17
    AlogP 2.98
    HBond donors 3
    HBond acceptors 7
    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 canSAR1068092.