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    MIV 150

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Miv-150, 231957-54-3, Miv 150, Miv-1r, Chembl391735, 824vsi942y
    Molecular Formula
    C19H17FN4O3
    Molecular Weight
    368.4  g/mol
    InChI Key
    NKPHEWJJTGPRSL-OCCSQVGLSA-N
    FDA UNII
    824VSI942Y
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(5-cyanopyridin-2-yl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea
    2.1.2 InChI
    InChI=1S/C19H17FN4O3/c1-2-15(25)11-4-5-13(20)17(18(11)26)12-7-14(12)23-19(27)24-16-6-3-10(8-21)9-22-16/h3-6,9,12,14,26H,2,7H2,1H3,(H2,22,23,24,27)/t12-,14+/m1/s1
    2.1.3 InChI Key
    NKPHEWJJTGPRSL-OCCSQVGLSA-N
    2.1.4 Canonical SMILES
    CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)O
    2.1.5 Isomeric SMILES
    CCC(=O)C1=C(C(=C(C=C1)F)[C@@H]2C[C@@H]2NC(=O)NC3=NC=C(C=C3)C#N)O
    2.2 Other Identifiers
    2.2.1 UNII
    824VSI942Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Miv 150

    2. Miv-150

    3. Miv150

    4. Pc 817

    5. Pc-817

    6. Pc817 Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. Miv-150

    2. 231957-54-3

    3. Miv 150

    4. Miv-1r

    5. Chembl391735

    6. 824vsi942y

    7. Pc-815

    8. Unii-824vsi942y

    9. 1-(5-cyanopyridin-2-yl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea

    10. Pc 815

    11. Miv150

    12. Schembl3732549

    13. Dtxsid70177773

    14. Zinc3941595

    15. Bdbm50477159

    16. Pc-1005 Component Miv-150

    17. Hy-19378

    18. Miv-150 Component Of Pc-1005

    19. Cs-0015478

    20. Q27269302

    21. 1-(5-cyano-2-pyridyl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea

    22. Urea, N-(5-cyano-2-pyridinyl)-n'-((1s,2s)-2-(6-fluoro-2-hydroxy-3-(1-oxopropyl)phenyl)cyclopropyl)-

    23. Urea, N-[(1s,2s)-2-[6-fluoro-2-hydroxy-3-(1-oxopropyl)phenyl]cyclopropyl]-n'-(5-cyano2-pyridinyl)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 368.4 g/mol
    Molecular Formula C19H17FN4O3
    XLogP32.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass368.12846858 g/mol
    Monoisotopic Mass368.12846858 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity621
    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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