| General Property |
| Molceule ID (DB) | EGIN0004482 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 50m |
| IUPAC Name | (2R)-N-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]pyrrolidine-2-carboxamide |
| Formula | C26H24ClN7O2S |
| Mass | 534.032 |
| Exact Mass | 533.1400714 |
| Composition | C (58.48%), H (4.53%), Cl (6.64%), N (18.36%), O (5.99%), S (6%) |
| Atom Count | 61 |
| PI | 12.24 |
| Smiles | c1(c2n(ccc2ncn1)CCNC(=O)[C@H]1CCCN1)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
| InChI | 1S/C26H24ClN7O2S/c27-18-13-16(6-7-22(18)36-21-4-1-5-23-17(21)14-32-37-23)33-25-24-19(30-15-31-25)8-1
1-34(24)12-10-29-26(35)20-3-2-9-28-20/h1,4-8,11,13-15,20,28H,2-3,9-10,12H2,(H,29,35)(H,30,31,33)/t20
-/m1/s1 |
| InChIKey | WUQQSPODIZWQJL-HXUWFJFHSA-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 |
44631420
|
| Drug Bank Link | - |
| ChemSpider Link | 28523615 |
| ChEMBL Link | - |
