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canSAR344765
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NAMES
    SMILES
    CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1-c1ccc(C(=O)O)cc1
    InChI
    InChI=1S/C22H22N2O4S/c1-2-3-6-20-23-14-18(12-16(22(27)28)13-19-5-4-11-29-19)24(20)17-9-7-15(8-10-17)21(25)26/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,25,26)(H,27,28)/b16-12+
    MOLECULAR FORMULA
    C22H22N2O4S
    CROSS REFERENCES
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    canSAR344765

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.13
    AlogP 4.69
    HBond donors 2
    HBond acceptors 6
    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 canSAR344765.