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canSAR784804
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H]1C[C@H](NS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
    InChI
    InChI=1S/C22H29NO8S/c1-21-7-5-13-20(26)31-16(12-6-8-30-11-12)10-22(13,2)18(21)17(24)15(23-32(4,27)28)9-14(21)19(25)29-3/h6,8,11,13-16,18,23H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
    MOLECULAR FORMULA
    C22H29NO8S
    CROSS REFERENCES
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    canSAR784804

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.16
    AlogP 1.99
    HBond donors 1
    HBond acceptors 9
    Atoms 61
    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 canSAR784804.