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canSAR345724
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
    InChI
    InChI=1S/C37H63N5O9S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-52(11,49)50)39-35(47)31(24(5)6)42-36(48)51-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25?,27?,28-,29?,30-,31-/m0/s1
    MOLECULAR FORMULA
    C37H63N5O9S
    CROSS REFERENCES
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    canSAR345724

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 753.43
    AlogP 2.83
    HBond donors 6
    HBond acceptors 14
    Atoms 115
    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 canSAR345724.