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canSAR744924
FEATURES
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NAMES
    SMILES
    COC1(c2cc(F)cc(OCCCN3CCc4c(c5cc(S(C)(=O)=O)ccc5n4CCCOc4cc(F)cc(C5(OC)CCOCC5)c4)C3)c2)CCOCC1.Cl
    InChI
    InChI=1S/C42H52F2N2O8S.ClH/c1-49-41(9-18-51-19-10-41)30-22-32(43)26-34(24-30)53-16-4-13-45-15-8-40-38(29-45)37-28-36(55(3,47)48)6-7-39(37)46(40)14-5-17-54-35-25-31(23-33(44)27-35)42(50-2)11-20-52-21-12-42;/h6-7,22-28H,4-5,8-21,29H2,1-3H3;1H
    MOLECULAR FORMULA
    C42H53ClF2N2O8S
    CROSS REFERENCES
    744924 logo

    canSAR744924

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 818.32
    AlogP 7.35
    HBond donors 0
    HBond acceptors 10
    Atoms 109
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR744924.