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canSAR1632891
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NAMES
    SMILES
    O=c1nc(Nc2ccc(-c3ccon3)cc2)n(Cc2ccc(Cl)cc2)c(=O)n1CCO
    InChI
    InChI=1S/C21H18ClN5O4/c22-16-5-1-14(2-6-16)13-27-19(24-20(29)26(10-11-28)21(27)30)23-17-7-3-15(4-8-17)18-9-12-31-25-18/h1-9,12,28H,10-11,13H2,(H,23,24,29)
    MOLECULAR FORMULA
    C21H18ClN5O4
    CROSS REFERENCES
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    canSAR1632891

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.10
    AlogP 2.50
    HBond donors 2
    HBond acceptors 9
    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 canSAR1632891.