| General Property |
| Molceule ID (DB) | EGIN0004274 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19b compound |
| IUPAC Name | (2S)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C25H25ClFN5O4 |
| Mass | 513.949 |
| Exact Mass | 513.1579102 |
| Composition | C (58.42%), H (4.9%), Cl (6.9%), F (3.7%), N (13.63%), O (12.45%) |
| Atom Count | 61 |
| PI | 8.04 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OCCOC)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C25H25ClFN5O4/c1-3-23(33)32-8-4-5-21(32)25(34)31-20-12-16-19(13-22(20)36-10-9-35-2)28-14-29-24(16
)30-15-6-7-18(27)17(26)11-15/h3,6-7,11-14,21H,1,4-5,8-10H2,2H3,(H,31,34)(H,28,29,30)/t21-/m0/s1 |
| InChIKey | GWJRFFSJMPWCMO-NRFANRHFSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24634303 |
| ChEMBL Link | CHEMBL572160 |
