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canSAR1124485
FEATURES
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NAMES
    SMILES
    Cc1cccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1
    InChI
    InChI=1S/C36H33F5N2O6S/c1-21-6-5-7-23(16-21)18-42(50(48,49)35-33(40)31(38)30(37)32(39)34(35)41)20-29(45)43(26-14-15-27(36(46)47)28(44)17-26)19-22-10-12-25(13-11-22)24-8-3-2-4-9-24/h5-7,10-17,24,44H,2-4,8-9,18-20H2,1H3,(H,46,47)
    MOLECULAR FORMULA
    C36H33F5N2O6S
    CROSS REFERENCES
    1124485 logo

    canSAR1124485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 716.20
    AlogP 7.57
    HBond donors 2
    HBond acceptors 8
    Atoms 83
    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 canSAR1124485.