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canSAR756340
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3C(F)(F)F)C2=O)ccc1OCc1ccc(C(=O)O)cc1
    InChI
    InChI=1S/C27H19F4NO6S/c1-37-22-10-16(4-9-21(22)38-14-15-2-5-17(6-3-15)25(34)35)11-23-24(33)32(26(36)39-23)13-18-7-8-19(28)12-20(18)27(29,30)31/h2-12H,13-14H2,1H3,(H,34,35)/b23-11-
    MOLECULAR FORMULA
    C27H19F4NO6S
    CROSS REFERENCES
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    canSAR756340

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.09
    AlogP 6.37
    HBond donors 1
    HBond acceptors 7
    Atoms 58
    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 canSAR756340.