4-Chloro-6,7-dimethoxy-2-benzoxazolinone
| Internal ID | 95b44702-a8da-4c08-9413-0922a33bc830 |
| Taxonomy | Organoheterocyclic compounds > Benzoxazoles |
| IUPAC Name | 4-chloro-6,7-dimethoxy-3H-1,3-benzoxazol-2-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1OC)OC(=O)N2)Cl |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1OC)OC(=O)N2)Cl |
| InChI | InChI=1S/C9H8ClNO4/c1-13-5-3-4(10)6-8(7(5)14-2)15-9(12)11-6/h3H,1-2H3,(H,11,12) |
| InChI Key | VTZLLYJSIAQXFJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.62 g/mol |
| Exact Mass | 229.0141854 g/mol |
| Topological Polar Surface Area (TPSA) | 56.80 Ų |
| XlogP | 1.70 |
| 171261-64-6 |
| 2(3H)-Benzoxazolone, 4-chloro-6,7-dimethoxy- |
| BEG564CCV3 |
| SCHEMBL9054711 |
| DTXSID80737625 |
| CHEBI:172468 |
| 4-chloro-6,7-dimethoxy-benzoxazolin-2-one |
| 4-Chloro-6,7-dimethoxy-2(3H)-benzoxazolone |
| 4-Chloro-6,7-dimethoxy-1,3-benzoxazol-2(3H)-one |
| 4-Chloranyl-6,7-dimethoxy-3H-1,3-benzoxazol-2-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.72% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.30% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.98% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.77% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.57% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.96% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.74% | 89.34% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.74% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.93% | 90.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.68% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.87% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.82% | 95.50% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.70% | 96.86% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.52% | 92.98% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.50% | 97.14% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.54% | 92.29% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.01% | 98.75% |
| PubChem | 67761025 |
| LOTUS | LTS0184548 |
| wikiData | Q82682522 |