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canSAR1203916
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NAMES
    SMILES
    Cc1cc(C)c(Cn2cc(C(=O)/C=C(\O)C(=O)O)c3cc(F)ccc32)c(C)c1
    InChI
    InChI=1S/C22H20FNO4/c1-12-6-13(2)17(14(3)7-12)10-24-11-18(20(25)9-21(26)22(27)28)16-8-15(23)4-5-19(16)24/h4-9,11,26H,10H2,1-3H3,(H,27,28)/b21-9-
    MOLECULAR FORMULA
    C22H20FNO4
    CROSS REFERENCES
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    canSAR1203916

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.14
    AlogP 4.46
    HBond donors 2
    HBond acceptors 5
    Atoms 48
    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 canSAR1203916.