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    HSK39004

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Schembl30549301, Bdbm722436, Hsk39004, Ex-a16444, Us20250059186, compound 7, 2939748-69-1
    Molecular Formula
    C26H31N5O4
    Molecular Weight
    480.6  g/mol
    InChI Key
    CSOBIBXVIYAXFM-VPYROQPTSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[9-methoxy-4-oxo-10-(trideuteriomethoxy)-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea
    2.1.2 InChI
    InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)/i5D3
    2.1.3 InChI Key
    CSOBIBXVIYAXFM-VPYROQPTSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl30549301

    2. Bdbm722436

    3. Hsk39004

    4. Ex-a16444

    5. Us20250059186, Compound 7

    6. 2939748-69-1

    2.3 Create Date
    2023-11-09
    3 Chemical and Physical Properties
    Molecular Weight 480.6 g/mol
    Molecular Formula C26H31N5O4
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area109
    Heavy Atom Count35
    Formal Charge0
    Complexity849
    Isotope Atom Count3
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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