canSAR936679
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc(I)c3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
    InChI
    InChI=1S/C35H44IN5O8S/c1-5-21-18-35(21,32(44)40-50(46,47)23-10-11-23)39-29(42)27-17-22-19-41(27)31(43)28(34(2,3)4)38-33(45)48-14-8-6-7-9-20-15-25-24(26(36)16-20)12-13-37-30(25)49-22/h5,12-13,15-16,21-23,27-28H,1,6-11,14,17-19H2,2-4H3,(H,38,45)(H,39,42)(H,40,44)/t21-,22-,27+,28-,35-/m1/s1
    MOLECULAR FORMULA
    C35H44IN5O8S
    CROSS REFERENCES
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    canSAR936679
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight821.20
    AlogP3.72
    HBond donors3
    HBond acceptors13
    Atoms94
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR936679.