| General Property |
| Molceule ID (DB) | EGIN0000217 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-{4-[(3-methylphenyl)amino]-7-[4-(piperidin-4-yl)butoxy]quinazolin-6-yl}prop-2-enamide |
| Formula | C27H33N5O2 |
| Mass | 459.5832 |
| Exact Mass | 459.2634253 |
| Composition | C (70.56%), H (7.24%), N (15.24%), O (6.96%) |
| Atom Count | 67 |
| PI | 11.45 |
| Smiles | O=C(Nc1cc2c(cc1OCCCCC1CCNCC1)ncnc2Nc1cccc(c1)C)C=C |
| InChI | 1S/C27H33N5O2/c1-3-26(33)32-24-16-22-23(29-18-30-27(22)31-21-9-6-7-19(2)15-21)17-25(24)34-14-5-4-8-2
0-10-12-28-13-11-20/h3,6-7,9,15-18,20,28H,1,4-5,8,10-14H2,2H3,(H,32,33)(H,29,30,31) |
| InChIKey | KYUAXNWQCPPTRL-UHFFFAOYSA-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 | 10753475 |
| 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 | CHEMBL31622 |
