canSAR2257190
FEATURES
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NAMES
    SMILES
    CCc1cc(OCC2=C(c3cccc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)CCCC2(C)C)ccc1C1CCN(C(=O)C2CC2)CC1
    InChI
    InChI=1S/C36H41F3N4O4/c1-4-22-19-25(12-13-26(22)23-14-17-42(18-15-23)33(44)24-10-11-24)47-21-29-27(7-6-16-35(29,2)3)30-8-5-9-31(41-30)43-32(36(37,38)39)28(20-40-43)34(45)46/h5,8-9,12-13,19-20,23-24H,4,6-7,10-11,14-18,21H2,1-3H3,(H,45,46)
    MOLECULAR FORMULA
    C36H41F3N4O4
    CROSS REFERENCES
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    canSAR2257190
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight650.31
    AlogP7.71
    HBond donors1
    HBond acceptors8
    Atoms88
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2257190.