| General Property |
| Molceule ID (DB) | EGIN0000333 |
| Inhibitor Class | Oxazepine |
| Molecule Name in Refrence Article | 2r compound |
| IUPAC Name | 7-[(3-bromophenyl)sulfanyl]-13,14-dimethoxy-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene |
| Formula | C19H16BrN3O3S |
| Mass | 446.318 |
| Exact Mass | 445.0095747 |
| Composition | C (51.13%), H (3.61%), Br (17.9%), N (9.41%), O (10.75%), S (7.18%) |
| Atom Count | 43 |
| PI | 7.16 |
| Smiles | c12c(ncnc1Sc1cc(ccc1)Br)Oc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C19H16BrN3O3S/c1-24-15-6-11-9-21-17-18(26-14(11)8-16(15)25-2)22-10-23-19(17)27-13-5-3-4-12(20)7-1
3/h3-8,10,21H,9H2,1-2H3 |
| InChIKey | HNHXWUPOJFGKIK-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 |
11655241
|
| Drug Bank Link | - |
| ChemSpider Link | 9829979 |
| ChEMBL Link | CHEMBL214853 |
