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    GSK3036656

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    PharmaCompass
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    2D Structure
    Also known as: Gsk3036656, Unii-kz8h57wfc7, Gsk070 free base, 2131798-12-2, Gsk-070 free base, Gsk-656 free base
    Molecular Formula
    C10H13BClNO4
    Molecular Weight
    257.48  g/mol
    InChI Key
    DJUOWOXTPXUHDQ-MRVPVSSYSA-N
    FDA UNII
    KZ8H57WFC7
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(3S)-3-(aminomethyl)-4-chloro-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]ethanol
    2.1.2 InChI
    InChI=1S/C10H13BClNO4/c12-6-1-2-7(16-4-3-14)10-9(6)8(5-13)17-11(10)15/h1-2,8,14-15H,3-5,13H2/t8-/m1/s1
    2.1.3 InChI Key
    DJUOWOXTPXUHDQ-MRVPVSSYSA-N
    2.1.4 Canonical SMILES
    B1(C2=C(C=CC(=C2C(O1)CN)Cl)OCCO)O
    2.1.5 Isomeric SMILES
    B1(C2=C(C=CC(=C2[C@H](O1)CN)Cl)OCCO)O
    2.2 Other Identifiers
    2.2.1 UNII
    KZ8H57WFC7
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo(c)(1,2)oxaborol-1(3h)-ol

    2. Gsk3036656

    3. Gsk656

    2.3.2 Depositor-Supplied Synonyms

    1. Gsk3036656

    2. Unii-kz8h57wfc7

    3. Gsk070 Free Base

    4. 2131798-12-2

    5. Gsk-070 Free Base

    6. Gsk-656 Free Base

    7. Kz8h57wfc7

    8. Gsk-3036656 Free Base

    9. Ethanol, 2-(((3s)-3-(aminomethyl)-4-chloro-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)oxy)-

    10. Chembl4116378

    11. Gsk 070

    12. Gsk 3036656

    13. Hy-134648

    14. Cs-0146730

    15. C92507

    16. (s)-3-(aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3h)-ol

    2.4 Create Date
    2018-05-08
    3 Chemical and Physical Properties
    Molecular Weight 257.48 g/mol
    Molecular Formula C10H13BClNO4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass257.0626158 g/mol
    Monoisotopic Mass257.0626158 g/mol
    Topological Polar Surface Area84.9 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity261
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)