canSAR546416
FEATURES
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NAMES
    SMILES
    CCn1cc/c(=N\c2cccc(CCc3ccc(OC)cc3)c2)c(Cl)c1.O=S(=O)(O)C(F)(F)F
    InChI
    InChI=1S/C22H23ClN2O.CHF3O3S/c1-3-25-14-13-22(21(23)16-25)24-19-6-4-5-18(15-19)8-7-17-9-11-20(26-2)12-10-17;2-1(3,4)8(5,6)7/h4-6,9-16H,3,7-8H2,1-2H3;(H,5,6,7)/b24-22+;
    MOLECULAR FORMULA
    C23H24ClF3N2O4S
    CROSS REFERENCES
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    canSAR546416
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight516.11
    AlogP5.58
    HBond donors1
    HBond acceptors6
    Atoms58
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546416.