canSAR2096265
FEATURES
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NAMES
    SMILES
    Cc1cc2c(cc1C(OCc1ccc(SC(F)(F)F)cc1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
    InChI
    InChI=1S/C31H33F3O3S/c1-19-16-25-26(30(4,5)15-14-29(25,2)3)17-24(19)27(21-8-10-22(11-9-21)28(35)36)37-18-20-6-12-23(13-7-20)38-31(32,33)34/h6-13,16-17,27H,14-15,18H2,1-5H3,(H,35,36)
    MOLECULAR FORMULA
    C31H33F3O3S
    CROSS REFERENCES
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    canSAR2096265
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.21
    AlogP8.96
    HBond donors1
    HBond acceptors3
    Atoms71
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096265.