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    Verducatib

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Verducatib [inn], Lpo8ev0qns, Orb2944702, Chembl5942494, Schembl17584767, Bdbm201012
    Molecular Formula
    C31H35FN4O3
    Molecular Weight
    530.6  g/mol
    InChI Key
    MIBKKDLVBYJWTB-AIKBEYBBSA-N
    FDA UNII
    LPO8EV0QNS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,3S,4S)-N-[(1S)-1-cyano-2-[2-fluoro-4-[1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-5-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
    2.1.2 InChI
    InChI=1S/C31H35FN4O3/c32-28-14-20(1-3-21(28)11-25(15-33)35-30(37)29-22-5-6-24(12-22)34-29)19-2-4-23-16-39-31(27(23)13-19)7-9-36(10-8-31)26-17-38-18-26/h1-4,13-14,22,24-26,29,34H,5-12,16-18H2,(H,35,37)/t22-,24+,25-,29-/m0/s1
    2.1.3 InChI Key
    MIBKKDLVBYJWTB-AIKBEYBBSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    LPO8EV0QNS
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Verducatib [inn]

    2. Lpo8ev0qns

    3. Orb2944702

    4. Chembl5942494

    5. Schembl17584767

    6. Bdbm201012

    7. Hy-172242

    8. Us9540373, 1

    9. T205396

    10. 1887236-33-0

    2.4 Create Date
    2016-04-09
    3 Chemical and Physical Properties
    Molecular Weight 530.6 g/mol
    Molecular Formula C31H35FN4O3
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area86.6
    Heavy Atom Count39
    Formal Charge0
    Complexity959
    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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