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canSAR1013006
FEATURES
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NAMES
    SMILES
    CN(C)c1cccc2c(S(=O)(=O)NCCSCCCCCS[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](COCc6ccc7ccccc7c6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12
    InChI
    InChI=1S/C48H66N2O17S3/c1-50(2)32-14-8-13-31-30(32)12-9-15-36(31)70(60,61)49-18-21-68-19-6-3-7-20-69-48-43(59)40(56)45(34(24-52)65-48)67-47-42(58)39(55)44(33(23-51)63-47)66-46-41(57)38(54)37(53)35(64-46)26-62-25-27-16-17-28-10-4-5-11-29(28)22-27/h4-5,8-17,22,33-35,37-49,51-59H,3,6-7,18-21,23-26H2,1-2H3/t33-,34-,35-,37-,38+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+/m1/s1
    MOLECULAR FORMULA
    C48H66N2O17S3
    CROSS REFERENCES
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    canSAR1013006

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1038.35
    AlogP 0.65
    HBond donors 10
    HBond acceptors 19
    Atoms 136
    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 canSAR1013006.