| General Property |
| Molceule ID (DB) | EGIN0000332 |
| Inhibitor Class | Oxazepine |
| Molecule Name in Refrence Article | 2q compound |
| IUPAC Name | 7-(3-chloro-4-fluorophenoxy)-13,14-dimethoxy-9-methyl-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene |
| Formula | C20H17ClFN3O4 |
| Mass | 417.818 |
| Exact Mass | 417.089162 |
| Composition | C (57.49%), H (4.1%), Cl (8.49%), F (4.55%), N (10.06%), O (15.32%) |
| Atom Count | 46 |
| PI | 7.17 |
| Smiles | c12c(ncnc1Oc1cc(c(cc1)F)Cl)Oc1c(CN2C)cc(c(c1)OC)OC |
| InChI | 1S/C20H17ClFN3O4/c1-25-9-11-6-16(26-2)17(27-3)8-15(11)29-20-18(25)19(23-10-24-20)28-12-4-5-14(22)13(
21)7-12/h4-8,10H,9H2,1-3H3 |
| InChIKey | XGBKFOGRMBLNRB-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 16887347 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | KDR or VEGFR2 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23275876 |
| ChEMBL Link | CHEMBL425620 |
