| General Property |
| Molceule ID (DB) | EGIN0004658 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 36 |
| IUPAC Name | (2S)-1-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-3-(1H-imidazol-1-yl)propan-2-ol |
| Formula | C21H19ClFN5O3 |
| Mass | 443.859 |
| Exact Mass | 443.1160454 |
| Composition | C (56.83%), H (4.31%), Cl (7.99%), F (4.28%), N (15.78%), O (10.81%) |
| Atom Count | 50 |
| PI | 10.38 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC[C@H](Cn1ccnc1)O |
| InChI | 1S/C21H19ClFN5O3/c1-30-19-8-18-15(7-20(19)31-10-14(29)9-28-5-4-24-12-28)21(26-11-25-18)27-13-2-3-17(
23)16(22)6-13/h2-8,11-12,14,29H,9-10H2,1H3,(H,25,26,27)/t14-/m0/s1 |
| InChIKey | VXAFUEXPWHBEQW-AWEZNQCLSA-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 | 11459659 |
| 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 | 23150552 |
| ChEMBL Link | - |
