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canSAR785979
FEATURES
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NAMES
    SMILES
    CC(C)(SCc1ccc(O)cc1)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1OC(n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C22H28N4O9S/c1-22(2,36-9-10-3-5-11(27)6-4-10)17(23)18(31)25-13(20(32)33)16-14(29)15(30)19(35-16)26-8-7-12(28)24-21(26)34/h3-8,13-17,19,27,29-30H,9,23H2,1-2H3,(H,25,31)(H,32,33)(H,24,28,34)/t13-,14-,15+,16+,17+,19?/m0/s1
    MOLECULAR FORMULA
    C22H28N4O9S
    CROSS REFERENCES
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    canSAR785979

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.16
    AlogP -1.53
    HBond donors 8
    HBond acceptors 13
    Atoms 64
    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 canSAR785979.