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canSAR1144845
FEATURES
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NAMES
    SMILES
    Cc1cc(=O)oc2cc(OC3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CF)[C@H]([C@H](O)[C@H](O)CO)O3)ccc12
    InChI
    InChI=1S/C21H24FNO11/c1-9-4-16(28)32-14-5-10(2-3-11(9)14)33-21(20(30)31)6-12(25)17(23-15(27)7-22)19(34-21)18(29)13(26)8-24/h2-5,12-13,17-19,24-26,29H,6-8H2,1H3,(H,23,27)(H,30,31)/t12-,13+,17+,18+,19+,21?/m0/s1
    MOLECULAR FORMULA
    C21H24FNO11
    CROSS REFERENCES
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    canSAR1144845

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.13
    AlogP -1.42
    HBond donors 6
    HBond acceptors 12
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1144845.