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canSAR564572
FEATURES
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NAMES
    SMILES
    Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCCC(=O)NCCN)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
    InChI
    InChI=1S/C37H53N5O7S/c1-24-13-11-14-25(2)31(24)48-22-29(44)40-27(21-26-15-9-8-10-16-26)32(49-30(45)18-12-17-28(43)39-20-19-38)35(47)42-23-50-37(6,7)33(42)34(46)41-36(3,4)5/h8-11,13-16,27,32-33H,12,17-23,38H2,1-7H3,(H,39,43)(H,40,44)(H,41,46)/t27-,32-,33+/m0/s1
    MOLECULAR FORMULA
    C37H53N5O7S
    CROSS REFERENCES
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    canSAR564572

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 711.37
    AlogP 3.16
    HBond donors 5
    HBond acceptors 12
    Atoms 103
    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 canSAR564572.