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canSAR176582
FEATURES
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NAMES
    SMILES
    CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)[C@H](C)CC/N=C(/N)NS(C)(=O)=O)N(O)C=O
    InChI
    InChI=1S/C22H39N7O6S2/c1-6-7-17(29(33)13-30)16(12-14(2)3)19(31)26-18(20(32)27-22-25-10-11-36-22)15(4)8-9-24-21(23)28-37(5,34)35/h10-11,13-18,33H,6-9,12H2,1-5H3,(H,26,31)(H3,23,24,28)(H,25,27,32)/t15-,16-,17+,18+/m1/s1
    MOLECULAR FORMULA
    C22H39N7O6S2
    CROSS REFERENCES
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    canSAR176582

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.24
    AlogP 1.14
    HBond donors 6
    HBond acceptors 13
    Atoms 76
    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 canSAR176582.