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    CG-806

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Cg-806, 1370466-81-1, 7w3fgr71nn, 1-(3-fluoro-4-(7-(4-methyl-1h-imidazol-2-yl)-1-oxoisoindolin-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea, 1-[3-fluoro-4-[7-(5-methyl-1h-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Cg-806 analog
    Molecular Formula
    C26H19F4N5O2
    Molecular Weight
    509.5  g/mol
    InChI Key
    BOLRZWTVMUHQQU-UHFFFAOYSA-N
    FDA UNII
    7W3FGR71NN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
    2.1.2 InChI
    InChI=1S/C26H19F4N5O2/c1-13-11-31-23(33-13)19-8-7-17(20-12-32-24(36)22(19)20)18-6-5-16(10-21(18)27)35-25(37)34-15-4-2-3-14(9-15)26(28,29)30/h2-11H,12H2,1H3,(H,31,33)(H,32,36)(H2,34,35,37)
    2.1.3 InChI Key
    BOLRZWTVMUHQQU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)F)CNC3=O
    2.2 Other Identifiers
    2.2.1 UNII
    7W3FGR71NN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Cg-806

    2. 1370466-81-1

    3. 7w3fgr71nn

    4. 1-(3-fluoro-4-(7-(4-methyl-1h-imidazol-2-yl)-1-oxoisoindolin-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

    5. 1-[3-fluoro-4-[7-(5-methyl-1h-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

    6. Cg-806 Analog

    7. Unii-7w3fgr71nn

    8. Schembl1292507

    9. Glxc-26135

    10. Ex-a2932

    11. Nsc810717

    12. Cg'806; Cg-806

    13. Nsc-810717

    14. Hy-112646

    15. Cs-0058852

    16. 1-(3-fluoro-4-(7-(5-methyl-1h-imidazol-2-yl)-1-oxo-2,3-dihydro-1h-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)-urea

    17. 1-(3-fluoro-4-(7-(5-methyl-1h-imidazol-2-yl)-1-oxo-2,3-dihydro-1h-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)urea

    18. Urea, N-(4-(2,3-dihydro-7-(5-methyl-1h-imidazol-2-yl)-1-oxo-1h-isoindol-4-yl)-3-fluorophenyl)-n'-(3-(trifluoromethyl)phenyl)

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 509.5 g/mol
    Molecular Formula C26H19F4N5O2
    XLogP34.1
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass509.14748751 g/mol
    Monoisotopic Mass509.14748751 g/mol
    Topological Polar Surface Area98.9 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity844
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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