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canSAR1127057
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NAMES
    SMILES
    CCC(=O)Nc1cc(CNc2c(C#N)c(-c3ccccc3)nn2-c2ccccc2)cc(Cl)c1O
    InChI
    InChI=1S/C26H22ClN5O2/c1-2-23(33)30-22-14-17(13-21(27)25(22)34)16-29-26-20(15-28)24(18-9-5-3-6-10-18)31-32(26)19-11-7-4-8-12-19/h3-14,29,34H,2,16H2,1H3,(H,30,33)
    MOLECULAR FORMULA
    C26H22ClN5O2
    CROSS REFERENCES
    1127057 logo

    canSAR1127057

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.15
    AlogP 5.73
    HBond donors 3
    HBond acceptors 7
    Atoms 56
    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 canSAR1127057.