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    Zelicapavir

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Zelicapavir, 2070852-76-3, (3s)-3-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one, Zelicapavir [inn], Zelicapavir (usan/inn), U4oi721dmd
    Molecular Formula
    C27H22F3N7O3
    Molecular Weight
    549.5  g/mol
    InChI Key
    VGGNPZNYTJXPEW-HSZRJFAPSA-N
    FDA UNII
    U4OI721DMD
    ZELICAPAVIR is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-3-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
    2.1.2 InChI
    InChI=1S/C27H22F3N7O3/c28-27(29,30)17-14-20(37-10-12-39-13-11-37)22(31-15-17)25-35-36-26(40-25)34-23-24(38)32-19-9-5-4-8-18(19)21(33-23)16-6-2-1-3-7-16/h1-9,14-15,23H,10-13H2,(H,32,38)(H,34,36)/t23-/m1/s1
    2.1.3 InChI Key
    VGGNPZNYTJXPEW-HSZRJFAPSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    U4OI721DMD
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Zelicapavir

    2. 2070852-76-3

    3. (3s)-3-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

    4. Zelicapavir [inn]

    5. Zelicapavir (usan/inn)

    6. U4oi721dmd

    7. Chembl4475481

    8. Schembl20098421

    9. Vggnpznytjxpew-hszrjfapsa-n

    10. Bdbm561716

    11. Us11390631, Example 253

    12. Us11390631, Example 442

    13. Us11390631, Example 443

    14. Da-77569

    15. Ms-30056

    16. Hy-147346

    17. Cs-0566942

    18. D12958

    19. F84547

    2.4 Create Date
    2018-06-23
    3 Chemical and Physical Properties
    Molecular Weight 549.5 g/mol
    Molecular Formula C27H22F3N7O3
    XLogP33.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area118
    Heavy Atom Count40
    Formal Charge0
    Complexity912
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1