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canSAR1125377
FEATURES
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NAMES
    SMILES
    CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc(Cl)c1O
    InChI
    InChI=1S/C27H22Cl3N5O2/c1-3-25(36)33-24-10-16(9-23(30)26(24)37)14-32-27-20(13-31)15(2)34-35(27)19-6-4-5-17(11-19)18-7-8-21(28)22(29)12-18/h4-12,32,37H,3,14H2,1-2H3,(H,33,36)
    MOLECULAR FORMULA
    C27H22Cl3N5O2
    CROSS REFERENCES
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    canSAR1125377

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.08
    AlogP 7.35
    HBond donors 3
    HBond acceptors 7
    Atoms 59
    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 canSAR1125377.