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canSAR1649581
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
    InChI
    InChI=1S/C35H47N3O9S2/c1-25-22-38(26(2)24-39)35(40)32-21-28(36-48(41,42)30-12-7-6-8-13-30)14-19-33(32)47-27(3)11-9-10-20-46-34(25)23-37(4)49(43,44)31-17-15-29(45-5)16-18-31/h6-8,12-19,21,25-27,34,36,39H,9-11,20,22-24H2,1-5H3/t25-,26-,27+,34+/m1/s1
    MOLECULAR FORMULA
    C35H47N3O9S2
    CROSS REFERENCES
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    canSAR1649581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 717.28
    AlogP 4.61
    HBond donors 2
    HBond acceptors 12
    Atoms 96
    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 canSAR1649581.