canSAR1417436
FEATURES
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NAMES
    SMILES
    C#CCN(C[C@H]1[C@H](OC(=O)Nc2c(C)noc2C)[C@H](OC(=O)Nc2c(C)noc2C)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1
    InChI
    InChI=1S/C37H38N6O10S/c1-7-17-42(54(48,49)26-15-13-20(2)14-16-26)19-28-30-27(34(44)43(35(30)45)25-11-9-8-10-12-25)18-29(50-36(46)38-31-21(3)40-52-23(31)5)33(28)51-37(47)39-32-22(4)41-53-24(32)6/h1,8-16,27-30,33H,17-19H2,2-6H3,(H,38,46)(H,39,47)/t27-,28-,29-,30-,33+/m1/s1
    MOLECULAR FORMULA
    C37H38N6O10S
    CROSS REFERENCES
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    canSAR1417436
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight758.24
    AlogP4.89
    HBond donors2
    HBond acceptors16
    Atoms92
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417436.