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GSK3036656
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

GSK3036656

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.)


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