| General Property |
| Molceule ID (DB) | EGIN0003481 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | N-(3-bromophenyl)-6-[(2E)-3-[2-(morpholin-4-yl)ethyl]triaz-2-en-1-yl]quinazolin-4-amine |
| Formula | C20H22BrN7O |
| Mass | 456.339 |
| Exact Mass | 455.106921 |
| Composition | C (52.64%), H (4.86%), Br (17.51%), N (21.49%), O (3.51%) |
| Atom Count | 51 |
| PI | 11.24 |
| Smiles | c1(c2c(ncn1)ccc(N/N=N/CCN1CCOCC1)c2)Nc1cc(Br)ccc1 |
| InChI | 1S/C20H22BrN7O/c21-15-2-1-3-16(12-15)25-20-18-13-17(4-5-19(18)22-14-23-20)26-27-24-6-7-28-8-10-29-11
-9-28/h1-5,12-14H,6-11H2,(H,24,26)(H,22,23,25) |
| InChIKey | CGULORJBJPSDAN-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 | 13678409 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
10276061
|
| Drug Bank Link | - |
| ChemSpider Link | 8451539 |
| ChEMBL Link | CHEMBL137364 |
