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canSAR1147223
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](c2csc(-c3ccc(OC)cc3OC)n2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
    InChI
    InChI=1S/C37H49N5O9S2/c1-7-22-18-37(22,34(45)41-53(47,48)25-13-14-25)40-31(43)28-16-21(27-20-52-32(38-27)26-15-12-24(49-5)17-29(26)50-6)19-42(28)33(44)30(36(2,3)4)39-35(46)51-23-10-8-9-11-23/h7,12,15,17,20-23,25,28,30H,1,8-11,13-14,16,18-19H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t21-,22-,28+,30-,37-/m1/s1
    MOLECULAR FORMULA
    C37H49N5O9S2
    CROSS REFERENCES
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    canSAR1147223

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 771.30
    AlogP 4.26
    HBond donors 3
    HBond acceptors 14
    Atoms 102
    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 canSAR1147223.