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canSAR66303
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NAMES
    SMILES
    CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(C2=C(c3nn[nH]n3)CCC2)cc1
    InChI
    InChI=1S/C21H23ClN6O2/c1-2-3-7-17-23-19(22)18(21(29)30)28(17)12-13-8-10-14(11-9-13)15-5-4-6-16(15)20-24-26-27-25-20/h8-11H,2-7,12H2,1H3,(H,29,30)(H,24,25,26,27)
    MOLECULAR FORMULA
    C21H23ClN6O2
    CROSS REFERENCES
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    canSAR66303

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.16
    AlogP 4.23
    HBond donors 2
    HBond acceptors 8
    Atoms 53
    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 canSAR66303.