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canSAR115086
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NAMES
    SMILES
    COc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(F)cc2Cl)cc1
    InChI
    InChI=1S/C23H21ClFN5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(25)13-19(20)24/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)
    MOLECULAR FORMULA
    C23H21ClFN5O2
    CROSS REFERENCES
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    canSAR115086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.14
    AlogP 4.34
    HBond donors 1
    HBond acceptors 7
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR115086.