| General Property |
| Molceule ID (DB) | EGIN0000320 |
| Inhibitor Class | Oxazepine |
| Molecule Name in Refrence Article | 2e compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-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 | C19H16ClFN4O3 |
| Mass | 402.807 |
| Exact Mass | 402.0894963 |
| Composition | C (56.65%), H (4%), Cl (8.8%), F (4.72%), N (13.91%), O (11.92%) |
| Atom Count | 44 |
| PI | 7.96 |
| Smiles | c12c(ncnc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C19H16ClFN4O3/c1-26-15-5-10-8-22-17-18(25-11-3-4-13(21)12(20)6-11)23-9-24-19(17)28-14(10)7-16(15)
27-2/h3-7,9,22H,8H2,1-2H3,(H,23,24,25) |
| InChIKey | PIRRCCINNCBLGG-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 |
16046116
|
| Drug Bank Link | - |
| ChemSpider Link | 13174528 |
| ChEMBL Link | CHEMBL202970 |
