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canSAR500316
FEATURES
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NAMES
    SMILES
    CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)cc1)C(=O)NS(=O)(=O)c1ccccc1
    InChI
    InChI=1S/C46H53N5O9S/c1-9-16-35(41(52)51-61(56,57)33-19-14-11-15-20-33)48-42(53)39(49-43(54)40(45(2,3)4)50-44(55)60-46(5,6)7)30-21-23-31(24-22-30)59-38-28-36(29-17-12-10-13-18-29)47-37-27-32(58-8)25-26-34(37)38/h10-15,17-28,35,39-40H,9,16H2,1-8H3,(H,48,53)(H,49,54)(H,50,55)(H,51,52)/t35-,39-,40+/m0/s1
    MOLECULAR FORMULA
    C46H53N5O9S
    CROSS REFERENCES
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    canSAR500316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 851.36
    AlogP 7.59
    HBond donors 4
    HBond acceptors 14
    Atoms 114
    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 canSAR500316.