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canSAR783092
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NAMES
    SMILES
    CC1(C)[C@@H](NS(=O)(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
    InChI
    InChI=1S/C33H51NO7S/c1-28(2)23-8-12-33(7)26(31(23,5)11-9-24(28)34-42(40,41)17-10-25(36)37)22(35)18-20-21-19-30(4,27(38)39)14-13-29(21,3)15-16-32(20,33)6/h18,21,23-24,26,34H,8-17,19H2,1-7H3,(H,36,37)(H,38,39)/t21-,23-,24-,26+,29+,30-,31-,32+,33+/m0/s1
    MOLECULAR FORMULA
    C33H51NO7S
    CROSS REFERENCES
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    canSAR783092

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 605.34
    AlogP 5.81
    HBond donors 3
    HBond acceptors 8
    Atoms 93
    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 canSAR783092.