| General Property |
| Molceule ID (DB) | EGIN0004265 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13f compound |
| IUPAC Name | (3R)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)piperidine-3-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 | 9.01 |
| Smiles | c12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)[C@@H]1CCCN(C1)C(=O)C=C |
| InChI | 1S/C29H27ClN6O3/c1-2-27(37)36-13-5-6-19(16-36)29(38)35-20-8-10-25-23(14-20)28(33-18-32-25)34-21-9-11
-26(24(30)15-21)39-17-22-7-3-4-12-31-22/h2-4,7-12,14-15,18-19H,1,5-6,13,16-17H2,(H,35,38)(H,32,33,34
)/t19-/m1/s1 |
| InChIKey | ILVSPJHXTYQCDM-LJQANCHMSA-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 | - |
