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canSAR1689331
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NAMES
    SMILES
    Cc1ccccc1Cn1c(=O)c2c(nc3n2CCN3Cc2ccco2)n(C)c1=O
    InChI
    InChI=1S/C21H21N5O3/c1-14-6-3-4-7-15(14)12-26-19(27)17-18(23(2)21(26)28)22-20-24(9-10-25(17)20)13-16-8-5-11-29-16/h3-8,11H,9-10,12-13H2,1-2H3
    MOLECULAR FORMULA
    C21H21N5O3
    CROSS REFERENCES
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    canSAR1689331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.16
    AlogP 1.87
    HBond donors 0
    HBond acceptors 8
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1689331.