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    Bivamelagon

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    2D Structure
    Also known as: 2641595-54-0, Bivamelagon [inn], No1y8wra8n, Orb1944349, Schembl24580355, Schembl26661738
    Molecular Formula
    C35H53ClN4O4
    Molecular Weight
    629.3  g/mol
    InChI Key
    QLOCFNAGHBVTJD-JBHFHXMJSA-N
    FDA UNII
    NO1Y8WRA8N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(3S,5S)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(4-methylcyclohexyl)propanamide
    2.1.2 InChI
    InChI=1S/C35H53ClN4O4/c1-23(2)32(41)40(27-13-7-24(3)8-14-27)28-19-31(34(43)37-15-17-44-18-16-37)39(20-28)33(42)30-22-38(35(4,5)6)21-29(30)25-9-11-26(36)12-10-25/h9-12,23-24,27-31H,7-8,13-22H2,1-6H3/t24?,27?,28-,29-,30+,31-/m0/s1
    2.1.3 InChI Key
    QLOCFNAGHBVTJD-JBHFHXMJSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    NO1Y8WRA8N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2641595-54-0

    2. Bivamelagon [inn]

    3. No1y8wra8n

    4. Orb1944349

    5. Schembl24580355

    6. Schembl26661738

    7. Da-51212

    8. Hy-153660

    9. Cs-0834180

    10. N-{(3s,5s)-1-[(3s,4r)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl}-2-methyl-n-[(1s,4s)-4-methylcyclohexyl]propanamide

    2.4 Create Date
    2022-10-07
    3 Chemical and Physical Properties
    Molecular Weight 629.3 g/mol
    Molecular Formula C35H53ClN4O4
    XLogP34.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area73.4
    Heavy Atom Count44
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1