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canSAR400329
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NAMES
    SMILES
    CNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCC(O)CO)cc3)cncc2s1
    InChI
    InChI=1S/C21H21N3O5S/c1-22-21(28)18-8-16-17(10-23-11-19(16)30-18)29-15-5-2-13(3-6-15)4-7-20(27)24-9-14(26)12-25/h2-8,10-11,14,25-26H,9,12H2,1H3,(H,22,28)(H,24,27)/b7-4+
    MOLECULAR FORMULA
    C21H21N3O5S
    CROSS REFERENCES
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    canSAR400329

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.12
    AlogP 1.93
    HBond donors 4
    HBond acceptors 8
    Atoms 51
    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 canSAR400329.