| General Property |
| Molceule ID (DB) | EGIN0000549 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | 6-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-7-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine |
| Formula | C26H24N4O3S2 |
| Mass | 504.624 |
| Exact Mass | 504.128982 |
| Composition | C (61.88%), H (4.79%), N (11.1%), O (9.51%), S (12.71%) |
| Atom Count | 59 |
| PI | 10.73 |
| Smiles | c12c(cc(c(c1)OCCCSc1nc3c(s1)cccc3)OC)ncnc2Nc1ccc(cc1)OC |
| InChI | 1S/C26H24N4O3S2/c1-31-18-10-8-17(9-11-18)29-25-19-14-23(22(32-2)15-21(19)27-16-28-25)33-12-5-13-34-2
6-30-20-6-3-4-7-24(20)35-26/h3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,27,28,29) |
| InChIKey | DQPPUWYRLCQSKK-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 | 18771819 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24617475 |
| ChEMBL Link | CHEMBL550099 |
