| General Property |
| Molceule ID (DB) | EGIN0004498 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 47m |
| IUPAC Name | N-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-3-hydroxy-2,2-dimethylpropanamide |
| Formula | C26H25ClN6O3S |
| Mass | 537.033 |
| Exact Mass | 536.1397371 |
| Composition | C (58.15%), H (4.69%), Cl (6.6%), N (15.65%), O (8.94%), S (5.97%) |
| Atom Count | 62 |
| PI | 10.04 |
| Smiles | c1(c2n(ccc2ncn1)CCNC(=O)C(C)(C)CO)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
| InChI | 1S/C26H25ClN6O3S/c1-26(2,14-34)25(35)28-9-11-33-10-8-19-23(33)24(30-15-29-19)32-16-6-7-21(18(27)12-1
6)36-20-4-3-5-22-17(20)13-31-37-22/h3-8,10,12-13,15,34H,9,11,14H2,1-2H3,(H,28,35)(H,29,30,32) |
| InChIKey | FWRVTLDCKFPGCK-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 |
44229840
|
| Drug Bank Link | - |
| ChemSpider Link | 28505536 |
| ChEMBL Link | - |
