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canSAR785333
FEATURES
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NAMES
    SMILES
    CC(=O)NC(CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C
    InChI
    InChI=1S/C39H44N4O7S2/c1-25-12-8-9-17-30(25)22-40-37(47)35-39(3,4)51-24-43(35)38(48)34(45)32(20-27-13-6-5-7-14-27)42-36(46)33(41-26(2)44)23-52(49,50)31-19-18-28-15-10-11-16-29(28)21-31/h5-19,21,32-35,45H,20,22-24H2,1-4H3,(H,40,47)(H,41,44)(H,42,46)/t32-,33?,34-,35+/m0/s1
    MOLECULAR FORMULA
    C39H44N4O7S2
    CROSS REFERENCES
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    canSAR785333

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 744.27
    AlogP 3.51
    HBond donors 4
    HBond acceptors 11
    Atoms 96
    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 canSAR785333.