| General Property |
| Molceule ID (DB) | EGIN0004500 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 45m |
| IUPAC Name | N-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]acetamide |
| Formula | C23H19ClN6O2S |
| Mass | 478.954 |
| Exact Mass | 478.0978723 |
| Composition | C (57.68%), H (4%), Cl (7.4%), N (17.55%), O (6.68%), S (6.69%) |
| Atom Count | 52 |
| PI | 10.23 |
| Smiles | c1(c2n(ccc2ncn1)CCNC(=O)C)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
| InChI | 1S/C23H19ClN6O2S/c1-14(31)25-8-10-30-9-7-18-22(30)23(27-13-26-18)29-15-5-6-20(17(24)11-15)32-19-3-2-
4-21-16(19)12-28-33-21/h2-7,9,11-13H,8,10H2,1H3,(H,25,31)(H,26,27,29) |
| InChIKey | AAGKMGNYUYCEPD-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 |
44229775
|
| Drug Bank Link | - |
| ChemSpider Link | 28506568 |
| ChEMBL Link | - |
