| General Property |
| Molceule ID (DB) | EGIN0004272 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18d compound |
| IUPAC Name | (2S)-N-{4-[(4-bromo-3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C23H20BrClFN5O3 |
| Mass | 548.792 |
| Exact Mass | 547.0422081 |
| Composition | C (50.34%), H (3.67%), Br (14.56%), Cl (6.46%), F (3.46%), N (12.76%), O (8.75%) |
| Atom Count | 54 |
| PI | 8 |
| Smiles | c12cc(c(cc1ncnc2Nc1c(c(c(cc1)Br)Cl)F)OC)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C23H20BrClFN5O3/c1-3-19(32)31-8-4-5-17(31)23(33)30-16-9-12-15(10-18(16)34-2)27-11-28-22(12)29-14-
7-6-13(24)20(25)21(14)26/h3,6-7,9-11,17H,1,4-5,8H2,2H3,(H,30,33)(H,27,28,29)/t17-/m0/s1 |
| InChIKey | ZBBOJTOFRKWXHD-KRWDZBQOSA-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 | 24635285 |
| ChEMBL Link | CHEMBL571927 |
