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canSAR784606
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\CCCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C
    InChI
    InChI=1S/C38H47N5O7S2/c1-22(2)29-21-51-36(40-29)28-18-32(27-15-16-31(49-4)23(3)34(27)39-28)50-25-17-30-35(45)41-38(37(46)42-52(47,48)26-13-14-26)19-24(38)11-9-7-5-6-8-10-12-33(44)43(30)20-25/h9,11,15-16,18,21-22,24-26,30H,5-8,10,12-14,17,19-20H2,1-4H3,(H,41,45)(H,42,46)/b11-9-/t24-,25-,30+,38-/m1/s1
    MOLECULAR FORMULA
    C38H47N5O7S2
    CROSS REFERENCES
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    canSAR784606

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 749.29
    AlogP 5.54
    HBond donors 2
    HBond acceptors 12
    Atoms 99
    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 canSAR784606.