| General Property |
| Molceule ID (DB) | EGIN0004261 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13b compound |
| IUPAC Name | N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)azetidine-3-carboxamide |
| Formula | C27H23ClN6O3 |
| Mass | 514.963 |
| Exact Mass | 514.1520163 |
| Composition | C (62.97%), H (4.5%), Cl (6.88%), N (16.32%), O (9.32%) |
| Atom Count | 60 |
| PI | 8.99 |
| Smiles | c12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)C1CN(C1)C(=O)C=C |
| InChI | 1S/C27H23ClN6O3/c1-2-25(35)34-13-17(14-34)27(36)33-18-6-8-23-21(11-18)26(31-16-30-23)32-19-7-9-24(22
(28)12-19)37-15-20-5-3-4-10-29-20/h2-12,16-17H,1,13-15H2,(H,33,36)(H,30,31,32) |
| InChIKey | UCZUIGUWGDMFRR-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 | 19888761 |
| 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 |
44542370
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
