canSAR546406
FEATURES
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NAMES
    SMILES
    Fc1ccc(C2=CCc3ccccc3N=C2N2CCN(C3CCCCC3)CC2)cc1.O=C(O)/C=C/C(=O)O
    InChI
    InChI=1S/C26H30FN3.C4H4O4/c27-22-13-10-20(11-14-22)24-15-12-21-6-4-5-9-25(21)28-26(24)30-18-16-29(17-19-30)23-7-2-1-3-8-23;5-3(6)1-2-4(7)8/h4-6,9-11,13-15,23H,1-3,7-8,12,16-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
    MOLECULAR FORMULA
    C30H34FN3O4
    CROSS REFERENCES
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    canSAR546406
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight519.25
    AlogP5.16
    HBond donors2
    HBond acceptors7
    Atoms72
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546406.