| General Property |
| Molceule ID (DB) | EGIN0001185 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-{4-[(3-methylphenyl)amino]-7-[3-(4-methylpiperidin-1-yl)propoxy]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 | 10.89 |
| Smiles | c12cc(c(cc1ncnc2Nc1cc(ccc1)C)OCCCN1CC[C@H](CC1)C)NC(=O)C=C |
| InChI | 1S/C27H33N5O2/c1-4-26(33)31-24-16-22-23(28-18-29-27(22)30-21-8-5-7-20(3)15-21)17-25(24)34-14-6-11-32
-12-9-19(2)10-13-32/h4-5,7-8,15-19H,1,6,9-14H2,2-3H3,(H,31,33)(H,28,29,30) |
| InChIKey | NFDAKSMAOTTYMS-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 | 10956451 |
| 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 | - |
