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    Encoberminogene Rezmadenovec

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Xl092, 2367004-54-2, Jun04542, Xl-092, Cl-092, Zanzalintinib [inn]
    Molecular Formula
    C29H25FN4O5
    Molecular Weight
    528.5  g/mol
    InChI Key
    JSPCKALGNNVYOO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-N'-(4-fluorophenyl)-1-N-[4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
    2.1.2 InChI
    InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)
    2.1.3 InChI Key
    JSPCKALGNNVYOO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Xl092

    2. 2367004-54-2

    3. Jun04542

    4. Xl-092

    5. Cl-092

    6. Zanzalintinib [inn]

    7. Unii-kc2jc2za04

    8. Kc2jc2za04

    9. Schembl21200856

    10. Xl 092 [who-dd]

    11. Gtpl12093

    12. Ex-a5029

    13. Nsc828252

    14. Nsc-828252

    15. Compound 8 [wo2019148044a1]

    16. Ac-36753

    17. Hy-138696

    18. Cs-0167112

    19. 1,1-cyclopropanedicarboxamide, N-(4-fluorophenyl)-n'-(4-((7-methoxy-6-((methylamino)carbonyl)-4-quinolinyl)oxy)phenyl)-

    20. 1-n'-(4-fluorophenyl)-1-n-[4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

    21. N-(4-fluorophenyl)-n'-(4-((7-methoxy-6- (methylcarbamoyl)quinolin-4- Yl)oxy)phenyl)cyclopropane-1,1-dicarboxamide

    2.3 Create Date
    2019-11-02
    3 Chemical and Physical Properties
    Molecular Weight 528.5 g/mol
    Molecular Formula C29H25FN4O5
    XLogP34.7
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass528.18089807 g/mol
    Monoisotopic Mass528.18089807 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity885
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1