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canSAR1061635
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NAMES
    SMILES
    N#Cc1cccnc1N1CCC(Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)CC1
    InChI
    InChI=1S/C22H19N5O4/c23-13-15-2-1-9-24-19(15)27-10-7-17(8-11-27)31-16-5-3-14(4-6-16)12-18-20(28)25-22(30)26-21(18)29/h1-6,9,12,17H,7-8,10-11H2,(H2,25,26,28,29,30)
    MOLECULAR FORMULA
    C22H19N5O4
    CROSS REFERENCES
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    canSAR1061635

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.14
    AlogP 1.75
    HBond donors 2
    HBond acceptors 9
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1061635.