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    2D Structure
    Also known as: 2641747-54-6, Chembl5314463, Schembl25240538, Gtpl12393, Glxc-26887, Ex-a8314
    Molecular Formula
    C32H30ClFN6O4
    Molecular Weight
    617.1  g/mol
    InChI Key
    PYKBFRQMXJWLGG-OAQYLSRUSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (7R)-16-chloro-15-(2-fluoro-6-hydroxyphenyl)-9-methyl-12-(4-methyl-2-propan-2-ylpyridin-3-yl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
    2.1.2 InChI
    InChI=1S/C32H30ClFN6O4/c1-6-23(42)38-12-13-39-21(15-38)31(43)37(5)29-28(39)18-14-19(33)26(24-20(34)8-7-9-22(24)41)36-30(18)40(32(29)44)27-17(4)10-11-35-25(27)16(2)3/h6-11,14,16,21,41H,1,12-13,15H2,2-5H3/t21-/m1/s1
    2.1.3 InChI Key
    PYKBFRQMXJWLGG-OAQYLSRUSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2641747-54-6

    2. Chembl5314463

    3. Schembl25240538

    4. Gtpl12393

    5. Glxc-26887

    6. Ex-a8314

    7. Da-53430

    8. Hy-152848

    9. Cs-0641191

    10. Structure Z25-2 [wo2021083167a1]

    11. (4ar,8m)-11-chloro-10-(2-fluoro-6-hydroxyphenyl)-6-methyl-8-[2-(propan-2-yl)-4-methylpyridin-3-yl]-3-prop2-enoyl-2,3,4,4a,6,8-hexahydro-1hpyrazino[1',2':4,5]pyrazino[2,3-c][1,8]naphthyridine-5,7-dione

    2.3 Create Date
    2021-11-10
    3 Chemical and Physical Properties
    Molecular Weight 617.1 g/mol
    Molecular Formula C32H30ClFN6O4
    XLogP33.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area110
    Heavy Atom Count44
    Formal Charge0
    Complexity1220
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1