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canSAR1519059
FEATURES
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NAMES
    SMILES
    Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1
    InChI
    InChI=1S/C27H27FN6O4S2/c1-18-5-4-6-22(15-18)34-24(16-29-26(36)19-7-13-23(14-8-19)40(37,38)33(2)3)31-32-27(34)39-17-25(35)30-21-11-9-20(28)10-12-21/h4-15H,16-17H2,1-3H3,(H,29,36)(H,30,35)
    MOLECULAR FORMULA
    C27H27FN6O4S2
    CROSS REFERENCES
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    canSAR1519059

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.15
    AlogP 3.63
    HBond donors 2
    HBond acceptors 10
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1519059.