| General Property |
| Molceule ID (DB) | EGIN0004497 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 48m |
| IUPAC Name | N-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2-methanesulfonyl-2-methylpropanamide |
| Formula | C26H25ClN6O4S2 |
| Mass | 585.098 |
| Exact Mass | 584.1067224 |
| Composition | C (53.37%), H (4.31%), Cl (6.06%), N (14.36%), O (10.94%), S (10.96%) |
| Atom Count | 64 |
| PI | 9.98 |
| Smiles | c1(c2n(ccc2ncn1)CCNC(=O)C(C)(C)S(=O)(=O)C)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
| InChI | 1S/C26H25ClN6O4S2/c1-26(2,39(3,35)36)25(34)28-10-12-33-11-9-19-23(33)24(30-15-29-19)32-16-7-8-21(18(
27)13-16)37-20-5-4-6-22-17(20)14-31-38-22/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,34)(H,29,30,32) |
| InChIKey | SVRFIUCPQRDGOA-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 | 22439974 |
| 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 |
57413593
|
| Drug Bank Link | - |
| ChemSpider Link | 28505537 |
| ChEMBL Link | - |
