| General Property |
| Molceule ID (DB) | EGIN0000317 |
| Inhibitor Class | Oxazepine |
| Molecule Name in Refrence Article | 2b compound |
| IUPAC Name | N-(3-ethynylphenyl)-13,14-dimethoxy-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C21H18N4O3 |
| Mass | 374.3926 |
| Exact Mass | 374.1378905 |
| Composition | C (67.37%), H (4.85%), N (14.96%), O (12.82%) |
| Atom Count | 46 |
| PI | 7.96 |
| Smiles | c12c(ncnc1Nc1cc(ccc1)C#C)Oc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C21H18N4O3/c1-4-13-6-5-7-15(8-13)25-20-19-21(24-12-23-20)28-16-10-18(27-3)17(26-2)9-14(16)11-22-1
9/h1,5-10,12,22H,11H2,2-3H3,(H,23,24,25) |
| InChIKey | IGRBIMXHNRBCQN-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 | 23276122 |
| ChEMBL Link | CHEMBL215071 |
