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canSAR92517
FEATURES
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NAMES
    SMILES
    CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)CC13CC4CC(CC(C4)C1)C3)C2
    InChI
    InChI=1S/C36H50N2O4S/c1-32(2)29-8-10-35(32,24-43(41,42)38-13-11-34(12-14-38)9-7-28-5-3-4-6-30(28)34)36(40,21-29)23-37-31(39)22-33-18-25-15-26(19-33)17-27(16-25)20-33/h3-7,9,25-27,29,40H,8,10-24H2,1-2H3,(H,37,39)/t25?,26?,27?,29-,33?,35+,36+/m1/s1
    MOLECULAR FORMULA
    C36H50N2O4S
    CROSS REFERENCES
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    canSAR92517

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 606.35
    AlogP 5.66
    HBond donors 2
    HBond acceptors 6
    Atoms 93
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR92517.