| General Property |
| Molceule ID (DB) | EGIN0000025 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | (3R)-4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)morpholine-3-carboxamide |
| Formula | C21H21ClFN5O3 |
| Mass | 445.875 |
| Exact Mass | 445.1316955 |
| Composition | C (56.57%), H (4.75%), Cl (7.95%), F (4.26%), N (15.71%), O (10.76%) |
| Atom Count | 52 |
| PI | 8.97 |
| Smiles | c12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](COCC1)C(=O)N |
| InChI | 1S/C21H21ClFN5O3/c1-30-18-8-16-13(7-12(18)9-28-5-6-31-10-17(28)20(24)29)21(26-11-25-16)27-15-4-2-3-1
4(22)19(15)23/h2-4,7-8,11,17H,5-6,9-10H2,1H3,(H2,24,29)(H,25,26,27)/t17-/m1/s1 |
| InChIKey | MRMPJCJPMMLVBE-QGZVFWFLSA-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 | 16516473 |
| 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 | 23269763 |
| ChEMBL Link | CHEMBL207674 |
