| General Property |
| Molceule ID (DB) | EGIN0004628 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 12e |
| IUPAC Name | 2-[2-(4-{[3-chloro-4-(3-chlorophenoxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethoxy]ethan-1-ol |
| Formula | C22H20Cl2N4O3 |
| Mass | 459.325 |
| Exact Mass | 458.0912459 |
| Composition | C (57.53%), H (4.39%), Cl (15.44%), N (12.2%), O (10.45%) |
| Atom Count | 51 |
| PI | 10.33 |
| Smiles | c1(c2n(ccc2ncn1)CCOCCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)Cl |
| InChI | 1S/C22H20Cl2N4O3/c23-15-2-1-3-17(12-15)31-20-5-4-16(13-18(20)24)27-22-21-19(25-14-26-22)6-7-28(21)8-
10-30-11-9-29/h1-7,12-14,29H,8-11H2,(H,25,26,27) |
| InChIKey | HNFWPMOZPVUYBB-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 | 22003817 |
| 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 |
56849703
|
| Drug Bank Link | - |
| ChemSpider Link | 28481370 |
| ChEMBL Link | CHEMBL1923009 |
