| General Property |
| Molceule ID (DB) | EGIN0004264 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13e compound |
| IUPAC Name | (2S)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)piperidine-2-carboxamide |
| Formula | C29H27ClN6O3 |
| Mass | 543.016 |
| Exact Mass | 542.1833165 |
| Composition | C (64.14%), H (5.01%), Cl (6.53%), N (15.48%), O (8.84%) |
| Atom Count | 66 |
| PI | 8.71 |
| Smiles | c12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)[C@@H]1CCCCN1C(=O)C=C |
| InChI | 1S/C29H27ClN6O3/c1-2-27(37)36-14-6-4-8-25(36)29(38)35-19-9-11-24-22(15-19)28(33-18-32-24)34-20-10-12
-26(23(30)16-20)39-17-21-7-3-5-13-31-21/h2-3,5,7,9-13,15-16,18,25H,1,4,6,8,14,17H2,(H,35,38)(H,32,33
,34)/t25-/m0/s1 |
| InChIKey | HFPJPGVFVQSSKJ-VWLOTQADSA-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 | - |
| ChEMBL Link | - |
