| General Property |
| Molceule ID (DB) | EGIN0004664 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 33 |
| IUPAC Name | {[(2R)-3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-2-hydroxypropyl](hydroxymethyl)amino}methanol |
| Formula | C20H22ClFN4O5 |
| Mass | 452.864 |
| Exact Mass | 452.1262757 |
| Composition | C (53.04%), H (4.9%), Cl (7.83%), F (4.2%), N (12.37%), O (17.66%) |
| Atom Count | 53 |
| PI | 9.6 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC[C@@H](CN(CO)CO)O |
| InChI | 1S/C20H22ClFN4O5/c1-30-18-6-17-14(5-19(18)31-8-13(29)7-26(10-27)11-28)20(24-9-23-17)25-12-2-3-16(22)
15(21)4-12/h2-6,9,13,27-29H,7-8,10-11H2,1H3,(H,23,24,25)/t13-/m1/s1 |
| InChIKey | DJFKNZBLMNTPDC-CYBMUJFWSA-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 |
23240660
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
