| General Property |
| Molceule ID (DB) | EGIN0004270 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18b compound |
| IUPAC Name | (2S)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C23H21ClFN5O3 |
| Mass | 469.896 |
| Exact Mass | 469.1316955 |
| Composition | C (58.79%), H (4.5%), Cl (7.54%), F (4.04%), N (14.9%), O (10.21%) |
| Atom Count | 54 |
| PI | 8.05 |
| Smiles | c12cc(c(cc1ncnc2Nc1cc(c(cc1)F)Cl)OC)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C23H21ClFN5O3/c1-3-21(31)30-8-4-5-19(30)23(32)29-18-10-14-17(11-20(18)33-2)26-12-27-22(14)28-13-6
-7-16(25)15(24)9-13/h3,6-7,9-12,19H,1,4-5,8H2,2H3,(H,29,32)(H,26,27,28)/t19-/m0/s1 |
| InChIKey | XPAHDSXWGOSPMF-IBGZPJMESA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 24635060 |
| ChEMBL Link | CHEMBL569871 |
