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canSAR1685127
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NAMES
    SMILES
    COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)Nc3ccccc3C(=O)O)C2=S)cc1
    InChI
    InChI=1S/C24H24N2O5S2/c1-31-17-12-10-16(11-13-17)15-20-22(32)26(24(30)33-20)14-6-2-3-9-21(27)25-19-8-5-4-7-18(19)23(28)29/h4-5,7-8,10-13,15H,2-3,6,9,14H2,1H3,(H,25,27)(H,28,29)/b20-15+
    MOLECULAR FORMULA
    C24H24N2O5S2
    CROSS REFERENCES
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    canSAR1685127

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.11
    AlogP 5.43
    HBond donors 2
    HBond acceptors 7
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1685127.