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canSAR114670
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NAMES
    SMILES
    CC(C)c1nc(CN(C(=O)NC(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)C2CC2)cs1
    InChI
    InChI=1S/C39H50N6O5S2/c1-25(2)35(44-38(48)45(31-15-16-31)21-30-23-51-37(41-30)26(3)4)36(47)43-33(18-28-13-9-6-10-14-28)34(46)19-29(17-27-11-7-5-8-12-27)42-39(49)50-22-32-20-40-24-52-32/h5-14,20,23-26,29,31,33-35,46H,15-19,21-22H2,1-4H3,(H,42,49)(H,43,47)(H,44,48)/t29-,33-,34-,35?/m0/s1
    MOLECULAR FORMULA
    C39H50N6O5S2
    CROSS REFERENCES
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    canSAR114670

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 746.33
    AlogP 6.44
    HBond donors 4
    HBond acceptors 11
    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 canSAR114670.