| General Property |
| Molceule ID (DB) | EGIN0000331 |
| Inhibitor Class | Oxazepine |
| Molecule Name in Refrence Article | 2p compound |
| IUPAC Name | 7-(3-bromophenoxy)-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 | C20H18BrN3O4 |
| Mass | 444.279 |
| Exact Mass | 443.0480687 |
| Composition | C (54.07%), H (4.08%), Br (17.99%), N (9.46%), O (14.4%) |
| Atom Count | 46 |
| PI | 7.17 |
| Smiles | c12c(ncnc1Oc1cc(ccc1)Br)Oc1c(CN2C)cc(c(c1)OC)OC |
| InChI | 1S/C20H18BrN3O4/c1-24-10-12-7-16(25-2)17(26-3)9-15(12)28-20-18(24)19(22-11-23-20)27-14-6-4-5-13(21)8
-14/h4-9,11H,10H2,1-3H3 |
| InChIKey | AABTVDZTFBSBKN-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 | 23275836 |
| ChEMBL Link | CHEMBL384067 |
