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    Zidesamtinib

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Zidesamtinib [inn], Mx5kqv5xhc, Nvl520, Schembl24007115, Gtpl12392, Nvl-520
    Molecular Formula
    C22H22FN7O
    Molecular Weight
    419.5  g/mol
    InChI Key
    DTWUUAFTYSMNQX-GFCCVEGCSA-N
    FDA UNII
    MX5KQV5XHC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (19R)-3-ethyl-16-fluoro-10,19-dimethyl-20-oxa-3,4,9,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine
    2.1.2 InChI
    InChI=1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1
    2.1.3 InChI Key
    DTWUUAFTYSMNQX-GFCCVEGCSA-N
    2.1.4 Canonical SMILES
    CCN1C2=C(CC3=NN(N=C3C4=C(C=C(C=C4)F)C(OC5=C(N=CC2=C5)N)C)C)C=N1
    2.1.5 Isomeric SMILES
    CCN1C2=C(CC3=NN(N=C3C4=C(C=C(C=C4)F)[C@H](OC5=C(N=CC2=C5)N)C)C)C=N1
    2.2 Other Identifiers
    2.2.1 UNII
    MX5KQV5XHC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Zidesamtinib [inn]

    2. Mx5kqv5xhc

    3. Nvl520

    4. Schembl24007115

    5. Gtpl12392

    6. Nvl-520

    7. Example 5 [us383715659]

    8. 2739829-00-4

    2.4 Create Date
    2023-02-02
    3 Chemical and Physical Properties
    Molecular Weight 419.5 g/mol
    Molecular Formula C22H22FN7O
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area96.7
    Heavy Atom Count31
    Formal Charge0
    Complexity629
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1