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    MK-1084

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Mk-1084, Chembl4875422, Calderasib [inn], Yqf4art47c, Schembl23273000, Bdbm50572111
    Molecular Formula
    C32H31ClF2N6O4
    Molecular Weight
    637.1  g/mol
    InChI Key
    BBIVCWWQPMOKAC-MSOLQXFVSA-N
    FDA UNII
    YQF4ART47C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    19-chloro-22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-13,16-difluoro-3-propan-2-yl-8,11-dioxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12,14,16,18,20,22,25-decaen-24-one
    2.1.2 InChI
    InChI=1S/C32H31ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h6-10,13,16-18H,1,11-12,14-15H2,2-5H3/t17-,18+/m1/s1
    2.1.3 InChI Key
    BBIVCWWQPMOKAC-MSOLQXFVSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    YQF4ART47C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mk-1084

    2. Chembl4875422

    3. Calderasib [inn]

    4. Yqf4art47c

    5. Schembl23273000

    6. Bdbm50572111

    7. Mk1084

    8. At48485

    9. Hy-162431

    10. Cs-1048397

    2.4 Create Date
    2021-08-21
    3 Chemical and Physical Properties
    Molecular Weight 637.1 g/mol
    Molecular Formula C32H31ClF2N6O4
    XLogP34.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area100
    Heavy Atom Count45
    Formal Charge0
    Complexity1160
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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