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canSAR1060004
FEATURES
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NAMES
    SMILES
    C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1
    InChI
    InChI=1S/C35H41N7O5S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)47-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-48(46)33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+,48?/m1/s1
    MOLECULAR FORMULA
    C35H41N7O5S
    CROSS REFERENCES
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    canSAR1060004

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 671.29
    AlogP 3.92
    HBond donors 5
    HBond acceptors 12
    Atoms 89
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1060004.