Information
KKL-10 KKL-10 is an inhibitor of ribosome rescue that exhibits exceptional broad-spectrum antimicrobial activity against bacteria.
Targets
ribosome rescue
| ALogP | 3.463 |
|---|---|
| Recuento HBD | 1 |
| Enlace rotable | 3 |
| Sonrisas canónicas | CC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)Br |
|---|---|
| IUPAC Name | 5-bromo-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide |
| InChIKey | QKSDWSBGDVYRKQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H10BrN3O2S/c1-8-2-4-9(5-3-8)13-17-18-14(20-13)16-12(19)10-6-7-11(15)21-10/h2-7H,1H3,(H,16,18,19) |
| Isómeros SMILES | CC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)Br |
| PubChem CID | 16854524 |
| Peso molecular | 364.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiophenes |
| Subclass | 2,5-disubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiophenes |
| Alternative Parents | Benzene and substituted derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Thioenol ethers Vinyl bromides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted thiophene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxadiazole - Azole - 1,3,4-oxadiazole - Thioenolether - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Vinyl halide - Vinyl bromide - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. |
| External Descriptors | Not available |
| DMSO (mg/ml) Solubilidad máxima | 3 |
|---|---|
| DMSO (mM) Solubilidad máxima | 8.23677996815112 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 364.220 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 362.968 Da |
| Monoisotopic Mass | 362.968 Da |
| Topological Polar Surface Area | 96.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 379.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
