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canSAR1013864
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc(NS(=O)(=O)c5ccc(-c6ccccc6)cc5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC
    InChI
    InChI=1S/C41H36N2O10S/c1-48-34-17-26(18-35(49-2)39(34)50-3)36-29-19-32-33(53-22-52-32)20-30(29)38(31-21-51-41(45)37(31)36)42-40(44)25-9-13-27(14-10-25)43-54(46,47)28-15-11-24(12-16-28)23-7-5-4-6-8-23/h4-20,31,36-38,43H,21-22H2,1-3H3,(H,42,44)/t31-,36+,37-,38+/m0/s1
    MOLECULAR FORMULA
    C41H36N2O10S
    CROSS REFERENCES
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    canSAR1013864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 748.21
    AlogP 6.31
    HBond donors 2
    HBond acceptors 12
    Atoms 90
    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 canSAR1013864.