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canSAR1718245
FEATURES
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NAMES
    SMILES
    CC(CCc1ccc(-c2ccc(OCCCCO)cc2)cc1)(C(=O)NO)S(C)(=O)=O
    InChI
    InChI=1S/C22H29NO6S/c1-22(21(25)23-26,30(2,27)28)14-13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)29-16-4-3-15-24/h5-12,24,26H,3-4,13-16H2,1-2H3,(H,23,25)
    MOLECULAR FORMULA
    C22H29NO6S
    CROSS REFERENCES
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    canSAR1718245

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.17
    AlogP 2.75
    HBond donors 3
    HBond acceptors 7
    Atoms 59
    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 canSAR1718245.