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canSAR499605
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C36H42N4O12S/c1-22(32(44)38-27(17-18-31(42)43)34(46)40-29(35(47)48)20-24-11-7-4-8-12-24)37-36(49)52-21-30(41)28(19-23-9-5-3-6-10-23)39-33(45)25-13-15-26(16-14-25)53(2,50)51/h3-16,22,27-30,41H,17-21H2,1-2H3,(H,37,49)(H,38,44)(H,39,45)(H,40,46)(H,42,43)(H,47,48)/t22-,27-,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C36H42N4O12S
    CROSS REFERENCES
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    canSAR499605

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 754.25
    AlogP 1.07
    HBond donors 7
    HBond acceptors 16
    Atoms 95
    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 canSAR499605.