| General Property |
| Molceule ID (DB) | EGIN0001848 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12c compound |
| IUPAC Name | N-[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
| Formula | C24H24ClN5O2S |
| Mass | 481.998 |
| Exact Mass | 481.1339234 |
| Composition | C (59.8%), H (5.02%), Cl (7.36%), N (14.53%), O (6.64%), S (6.65%) |
| Atom Count | 57 |
| PI | 12.02 |
| Smiles | c1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(OCc2ncsc2)cc1)Cl |
| InChI | 1S/C24H24ClN5O2S/c1-30-9-7-18(8-10-30)32-22-4-2-3-20-23(22)24(27-14-26-20)29-16-5-6-21(19(25)11-16)3
1-12-17-13-33-15-28-17/h2-6,11,13-15,18H,7-10,12H2,1H3,(H,26,27,29) |
| InChIKey | HBTRDSONVLGOKS-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 | 16055332 |
| 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 |
10162954
|
| Drug Bank Link | - |
| ChemSpider Link | 8338461 |
| ChEMBL Link | CHEMBL195204 |
