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    Olorofim

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: F-901318, F901318, 1928707-56-5, T34sh2h9hi, 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-n-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxo-acetamide, Olorofim [inn]
    Molecular Formula
    C28H27FN6O2
    Molecular Weight
    498.6  g/mol
    InChI Key
    SUFPWYYDCOKDLL-UHFFFAOYSA-N
    FDA UNII
    T34SH2H9HI
    Olorofim is a systemic antifungal agent that can potentially be used in the treatment of systemic fungal infections.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
    2.1.2 InChI
    InChI=1S/C28H27FN6O2/c1-19-16-24(20-6-4-3-5-7-20)25(33(19)2)26(36)27(37)32-22-8-10-23(11-9-22)34-12-14-35(15-13-34)28-30-17-21(29)18-31-28/h3-11,16-18H,12-15H2,1-2H3,(H,32,37)
    2.1.3 InChI Key
    SUFPWYYDCOKDLL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)C5=CC=CC=C5
    2.2 Other Identifiers
    2.2.1 UNII
    T34SH2H9HI
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. F901318

    2.3.2 Depositor-Supplied Synonyms

    1. F-901318

    2. F901318

    3. 1928707-56-5

    4. T34sh2h9hi

    5. 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-n-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxo-acetamide

    6. Olorofim [inn]

    7. Olorofim [who-dd]

    8. Unii-t34sh2h9hi

    9. Chembl4297609

    10. Schembl17767345

    11. Glxc-25141

    12. Bcp25872

    13. Bdbm50526857

    14. Db15245

    15. Sb19827

    16. F901318; F 901318; Olorofim

    17. Hy-104029

    18. Cs-0025660

    19. Q27896127

    20. 1h-pyrrole-2-acetamide, N-(4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)phenyl)-1,5-dimethyl-.alpha.-oxo-3-phenyl-

    21. 1h-pyrrole-2-acetamide, N-(4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)phenyl)-1,5-dimethyl-alpha-oxo-3-phenyl-

    2.4 Create Date
    2015-09-28
    3 Chemical and Physical Properties
    Molecular Weight 498.6 g/mol
    Molecular Formula C28H27FN6O2
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass498.21795229 g/mol
    Monoisotopic Mass498.21795229 g/mol
    Topological Polar Surface Area83.4 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity771
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antifungal Agents

    Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)