| General Property |
| Molceule ID (DB) | EGIN0004260 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13a compound |
| IUPAC Name | (2S)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)azetidine-2-carboxamide |
| Formula | C27H23ClN6O3 |
| Mass | 514.963 |
| Exact Mass | 514.1520163 |
| Composition | C (62.97%), H (4.5%), Cl (6.88%), N (16.32%), O (9.32%) |
| Atom Count | 60 |
| PI | 8.7 |
| Smiles | c12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)[C@@H]1CCN1C(=O)C=C |
| InChI | 1S/C27H23ClN6O3/c1-2-25(35)34-12-10-23(34)27(36)33-17-6-8-22-20(13-17)26(31-16-30-22)32-18-7-9-24(21
(28)14-18)37-15-19-5-3-4-11-29-19/h2-9,11,13-14,16,23H,1,10,12,15H2,(H,33,36)(H,30,31,32)/t23-/m0/s1 |
| InChIKey | BZDKBOJNACAVBZ-QHCPKHFHSA-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 | - |
| ChEMBL Link | - |
