| General Property |
| Molceule ID (DB) | EGIN0004499 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 46m |
| IUPAC Name | N-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2-hydroxy-2-methylpropanamide |
| Formula | C25H23ClN6O3S |
| Mass | 523.007 |
| Exact Mass | 522.124087 |
| Composition | C (57.41%), H (4.43%), Cl (6.78%), N (16.07%), O (9.18%), S (6.13%) |
| Atom Count | 59 |
| PI | 9.44 |
| Smiles | c1(c2n(ccc2ncn1)CCNC(=O)C(C)(C)O)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
| InChI | 1S/C25H23ClN6O3S/c1-25(2,34)24(33)27-9-11-32-10-8-18-22(32)23(29-14-28-18)31-15-6-7-20(17(26)12-15)3
5-19-4-3-5-21-16(19)13-30-36-21/h3-8,10,12-14,34H,9,11H2,1-2H3,(H,27,33)(H,28,29,31) |
| InChIKey | SEHAPCZLZSSPLF-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 |
57413596
|
| Drug Bank Link | - |
| ChemSpider Link | 28516156 |
| ChEMBL Link | - |
