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canSAR1000971
FEATURES
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NAMES
    SMILES
    CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
    InChI
    InChI=1S/C25H23Cl3N2O6S/c1-2-3-10-29-25(33)16-5-8-22(36-21-7-4-15(11-18(21)27)12-24(31)32)20(13-16)30-37(34,35)23-9-6-17(26)14-19(23)28/h4-9,11,13-14,30H,2-3,10,12H2,1H3,(H,29,33)(H,31,32)
    MOLECULAR FORMULA
    C25H23Cl3N2O6S
    CROSS REFERENCES
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    canSAR1000971

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 584.03
    AlogP 6.40
    HBond donors 3
    HBond acceptors 8
    Atoms 60
    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 canSAR1000971.