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    Chemistry

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    Also known as: 2304372-79-8, (1r,3r)-3-[(7s)-2-[(r)-(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7h-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid, Pocenbrodib [inn], Pocenbrodib (usan/inn), Ei2n46w53z, Chembl5314476
    Molecular Formula
    C28H32FN3O6
    Molecular Weight
    525.6  g/mol
    InChI Key
    NOUKMOKAEKAWKS-FSEQIFNCSA-N
    FDA UNII
    EI2N46W53Z
    Pocenbrodib
    POCENBRODIB is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
    1 2D Structure

    Pocenbrodib

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,3R)-3-[(7S)-2-[(R)-(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C28H32FN3O6/c1-15-7-9-19-21(31(15)28(36)38-3)10-11-22-24(19)30-26(25(33)20-14-17(29)8-12-23(20)37-2)32(22)18-6-4-5-16(13-18)27(34)35/h8,10-12,14-16,18,25,33H,4-7,9,13H2,1-3H3,(H,34,35)/t15-,16+,18+,25+/m0/s1
    2.1.3 InChI Key
    NOUKMOKAEKAWKS-FSEQIFNCSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    EI2N46W53Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2304372-79-8

    2. (1r,3r)-3-[(7s)-2-[(r)-(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7h-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic Acid

    3. Pocenbrodib [inn]

    4. Pocenbrodib (usan/inn)

    5. Ei2n46w53z

    6. Chembl5314476

    7. Schembl20818742

    8. Bdbm645365

    9. Glxc-27898

    10. Us20240016795, Compound 1

    11. Da-76966

    12. Hy-141546

    13. Cs-0180919

    14. D12924

    15. (1r,3r)-3-((s)-2-((r)-(5-fluoro-2-methoxyphenyl)(hydroxy)methyl)-6-(methoxycarbonyl)-7-methyl-6,7,8,9-tetrahydro-3h-imidazo[4,5-f]quinolin-3-yl)cyclohexanecarboxylic Acid

    16. (1r,3r)-3-{(7s)-2-[(r)-(5-fluoro-2- Methoxyphenyl)(hydroxy)methyl]-6-(methoxycarbonyl)- 7-methyl-6,7,8,9-tetrahydro-3h-imidazo[4,5-f]quinolin- 3-yl}cyclohexane-1-carboxylic Acid

    17. 6-methyl (7s)-3-[(1r,3r)-3-carboxycyclohexyl]-2-[(r)-(5-fluoro-2-methoxyphenyl)hydroxymethyl]-3,7,8,9-tetrahydro-7-methyl-6h-imidazo[4,5-f]quinoline-6-carboxylate

    18. 6h-imidazo[4,5-f]quinoline-6-carboxylic Acid, 3-[(1r,3r)-3-carboxycyclohexyl]-2-[(r)-(5-fluoro-2-methoxyphenyl)hydroxymethyl]-3,7,8,9-tetrahydro-7-methyl-, 6-methyl Ester, (7s)-

    19. Synthesis Of (1r,3r)-3-[(7s)-2-[(r)-(5-fluoro-2-methoxyphenyl)(hydroxy)methyl]-6-(methoxycarbonyl)-7-methyl-3h,6h,7h,8h,9h-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic Acid

    2.4 Create Date
    2019-07-20
    3 Chemical and Physical Properties
    Molecular Weight 525.6 g/mol
    Molecular Formula C28H32FN3O6
    XLogP33.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area114
    Heavy Atom Count38
    Formal Charge0
    Complexity864
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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