| General Property |
| Molceule ID (DB) | EGIN0004480 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5a |
| IUPAC Name | 8-[(3-chloro-4-fluorophenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
| Formula | C22H21ClFN5O3 |
| Mass | 457.885 |
| Exact Mass | 457.1316955 |
| Composition | C (57.71%), H (4.62%), Cl (7.74%), F (4.15%), N (15.29%), O (10.48%) |
| Atom Count | 53 |
| PI | 11.11 |
| Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C22H21ClFN5O3/c23-16-10-14(2-3-17(16)24)27-21-15-11-19-20(12-18(15)25-13-26-21)32-22(30)29(19)5-1
-4-28-6-8-31-9-7-28/h2-3,10-13H,1,4-9H2,(H,25,26,27) |
| InChIKey | NVSBIEBPBPVGSV-UHFFFAOYSA-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 | 22818848 |
| 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 | 28509897 |
| ChEMBL Link | - |
