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    Danicamtiv

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 1970972-74-7, Danicamtiv [inn], Danicamtiv [usan], Myk-491, Sar440181, 7b2cs922hi
    Molecular Formula
    C16H20F3N5O4S
    Molecular Weight
    435.4  g/mol
    InChI Key
    NREKKBAMVWQRES-MRXNPFEDSA-N
    FDA UNII
    7B2CS922HI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
    2.1.2 InChI
    InChI=1S/C16H20F3N5O4S/c1-16(19,29(26,27)11-9-23(2)21-13(11)14(17)18)10-3-6-24(7-4-10)15(25)20-12-5-8-28-22-12/h5,8-10,14H,3-4,6-7H2,1-2H3,(H,20,22,25)/t16-/m1/s1
    2.1.3 InChI Key
    NREKKBAMVWQRES-MRXNPFEDSA-N
    2.1.4 Canonical SMILES
    CC(C1CCN(CC1)C(=O)NC2=NOC=C2)(F)S(=O)(=O)C3=CN(N=C3C(F)F)C
    2.1.5 Isomeric SMILES
    C[C@@](C1CCN(CC1)C(=O)NC2=NOC=C2)(F)S(=O)(=O)C3=CN(N=C3C(F)F)C
    2.2 Other Identifiers
    2.2.1 UNII
    7B2CS922HI
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1970972-74-7

    2. Danicamtiv [inn]

    3. Danicamtiv [usan]

    4. Myk-491

    5. Sar440181

    6. 7b2cs922hi

    7. Myk491

    8. Sar-440181

    9. 1-piperidinecarboxamide, 4-((1r)-1-((3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)-n-3-isoxazolyl-

    10. 4-[(1r)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-n-(1,2-oxazol-3-yl)piperidine-1-carboxamide

    11. Danicamtiv (usan/inn)

    12. Danicamtiv (myk-491)

    13. Unii-7b2cs922hi

    14. Chembl4594304

    15. Schembl17942536

    16. Ex-a5015

    17. S9948

    18. Who 10942

    19. Sar 440181;myk-491

    20. Hy-109128

    21. Cs-0086762

    22. D11824

    23. (r)-4-(1-((3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)-n-(isoxazol-3-yl)piperidine-1-carboxamide

    24. 4-((1r)-1-((3-(difluoromethyl)-1-methyl-1h-pyrazol-4-yl)sulfonyl)-1-fluoroethyl)-n-(1,2-oxazol-3-yl)piperidine-1-carboxamide

    2.4 Create Date
    2016-12-08
    3 Chemical and Physical Properties
    Molecular Weight 435.4 g/mol
    Molecular Formula C16H20F3N5O4S
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass435.11880980 g/mol
    Monoisotopic Mass435.11880980 g/mol
    Topological Polar Surface Area119 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity701
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1