canSAR2080099
FEATURES
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NAMES
    SMILES
    Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4cccc(F)c4F)C[C@H]32)nc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
    InChI
    InChI=1S/C20H22F2N2O.C6H8O7/c1-13-5-6-18(23-9-13)20(25)8-7-14-10-24(12-16(14)20)11-15-3-2-4-17(21)19(15)22;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-6,9,14,16,25H,7-8,10-12H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14-,16+,20-;/m0./s1
    MOLECULAR FORMULA
    C26H30F2N2O8
    CROSS REFERENCES
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    canSAR2080099
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight536.20
    AlogP2.15
    HBond donors5
    HBond acceptors10
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080099.