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canSAR83505
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NAMES
    SMILES
    CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc(F)cc4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
    InChI
    InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)6-5-13-38(2)3)31(21(17-34)18-35-26)36-23-11-12-28(25(32)14-23)41-19-20-7-9-22(33)10-8-20/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b6-5+
    MOLECULAR FORMULA
    C31H29ClFN5O3
    CROSS REFERENCES
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    canSAR83505

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.19
    AlogP 6.68
    HBond donors 2
    HBond acceptors 8
    Atoms 70
    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 canSAR83505.