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canSAR781663
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NAMES
    SMILES
    CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)N(C[C@H](O)CNC(=O)[C@@H]2N[C@@H](C(NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1
    InChI
    InChI=1S/C37H54N6O6S/c1-7-49-27-19-28(32(46)42-36(2,3)4)43(23-27)22-26(44)21-39-34(48)31-37(5,6)50-35(41-31)30(33(47)38-20-25-16-12-9-13-17-25)40-29(45)18-24-14-10-8-11-15-24/h8-17,26-28,30-31,35,41,44H,7,18-23H2,1-6H3,(H,38,47)(H,39,48)(H,40,45)(H,42,46)/t26-,27-,28+,30?,31+,35-/m1/s1
    MOLECULAR FORMULA
    C37H54N6O6S
    CROSS REFERENCES
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    canSAR781663

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 710.38
    AlogP 1.71
    HBond donors 6
    HBond acceptors 12
    Atoms 104
    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 canSAR781663.