| General Property |
| Molceule ID (DB) | EGIN0004496 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 49m |
| IUPAC Name | N-[2-(4-{[4-(1,2-benzothiazol-4-yloxy)-3-chlorophenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2,2-dimethylpropanamide |
| Formula | C26H25ClN6O2S |
| Mass | 521.034 |
| Exact Mass | 520.1448225 |
| Composition | C (59.93%), H (4.84%), Cl (6.8%), N (16.13%), O (6.14%), S (6.15%) |
| Atom Count | 61 |
| PI | 10.26 |
| Smiles | c1(c2n(ccc2ncn1)CCNC(=O)C(C)(C)C)Nc1ccc(c(c1)Cl)Oc1c2cnsc2ccc1 |
| InChI | 1S/C26H25ClN6O2S/c1-26(2,3)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)3
5-20-5-4-6-22-17(20)14-31-36-22/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,34)(H,29,30,32) |
| InChIKey | JDRIEMWAOXMCLE-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 |
44229841
|
| Drug Bank Link | - |
| ChemSpider Link | 28526768 |
| ChEMBL Link | - |
