| General Property |
| Molceule ID (DB) | EGIN0000328 |
| Inhibitor Class | Oxazepine |
| Molecule Name in Refrence Article | 2m compound |
| IUPAC Name | N-(3-chloro-2-fluorophenyl)-13,14-dimethoxy-5-methyl-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C20H18ClFN4O3 |
| Mass | 416.833 |
| Exact Mass | 416.1051464 |
| Composition | C (57.63%), H (4.35%), Cl (8.51%), F (4.56%), N (13.44%), O (11.51%) |
| Atom Count | 47 |
| PI | 8.25 |
| Smiles | c12c(nc(nc1Nc1c(c(ccc1)Cl)F)C)Oc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C20H18ClFN4O3/c1-10-24-19(26-13-6-4-5-12(21)17(13)22)18-20(25-10)29-14-8-16(28-3)15(27-2)7-11(14)
9-23-18/h4-8,23H,9H2,1-3H3,(H,24,25,26) |
| InChIKey | MTSNGHVNGCZYBV-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 | 23276015 |
| ChEMBL Link | CHEMBL386052 |
