| General Property |
| Molceule ID (DB) | EGIN0000235 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4a compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}prop-2-enamide |
| Formula | C16H12BrN5O |
| Mass | 370.203 |
| Exact Mass | 369.0225227 |
| Composition | C (51.91%), H (3.27%), Br (21.58%), N (18.92%), O (4.32%) |
| Atom Count | 35 |
| PI | 8.4 |
| Smiles | c12c(cc(nc1)NC(=O)C=C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C16H12BrN5O/c1-2-15(23)22-14-7-13-12(8-18-14)16(20-9-19-13)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,18
,22,23)(H,19,20,21) |
| InChIKey | LBTKBOXSMBAAAQ-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 | 10346932 |
| 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 |
10832923
|
| Drug Bank Link | - |
| ChemSpider Link | 9008223 |
| ChEMBL Link | CHEMBL49986 |
