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canSAR778383
FEATURES
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NAMES
    SMILES
    COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl
    InChI
    InChI=1S/C36H42ClN5O7S2/c1-20(2)26-19-50-34(39-26)25-16-29(24-13-14-28(48-3)31(37)32(24)38-25)49-22-15-27-33(44)40-36(35(45)41-51(46,47)23-11-12-23)17-21(36)9-7-5-4-6-8-10-30(43)42(27)18-22/h7,9,13-14,16,19-23,27H,4-6,8,10-12,15,17-18H2,1-3H3,(H,40,44)(H,41,45)/b9-7-/t21-,22-,27+,36-/m1/s1
    MOLECULAR FORMULA
    C36H42ClN5O7S2
    CROSS REFERENCES
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    canSAR778383

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 755.22
    AlogP 5.50
    HBond donors 2
    HBond acceptors 12
    Atoms 93
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR778383.