| General Property |
| Molceule ID (DB) | EGIN0004269 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 18a compound |
| IUPAC Name | (2S)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-7-methoxyquinazolin-6-yl)-1-(prop-2-enoyl)pyrrolidine-2-carboxamide |
| Formula | C29H27ClN6O4 |
| Mass | 559.015 |
| Exact Mass | 558.1782311 |
| Composition | C (62.31%), H (4.87%), Cl (6.34%), N (15.03%), O (11.45%) |
| Atom Count | 67 |
| PI | 8.09 |
| Smiles | c12cc(c(cc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)OC)NC(=O)[C@@H]1CCCN1C(=O)C=C |
| InChI | 1S/C29H27ClN6O4/c1-3-27(37)36-12-6-8-24(36)29(38)35-23-14-20-22(15-26(23)39-2)32-17-33-28(20)34-18-9
-10-25(21(30)13-18)40-16-19-7-4-5-11-31-19/h3-5,7,9-11,13-15,17,24H,1,6,8,12,16H2,2H3,(H,35,38)(H,32
,33,34)/t24-/m0/s1 |
| InChIKey | HUVKCFXESYLDBF-DEOSSOPVSA-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 | 24630764 |
| ChEMBL Link | CHEMBL567181 |
