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canSAR1404053
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NAMES
    SMILES
    O=S(=O)(c1ccccc1Br)N(CC(O)COCc1ccccc1)C1CC1
    InChI
    InChI=1S/C19H22BrNO4S/c20-18-8-4-5-9-19(18)26(23,24)21(16-10-11-16)12-17(22)14-25-13-15-6-2-1-3-7-15/h1-9,16-17,22H,10-14H2
    MOLECULAR FORMULA
    C19H22BrNO4S
    CROSS REFERENCES
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    canSAR1404053

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.05
    AlogP 3.18
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    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 canSAR1404053.