| General Property |
| Molceule ID (DB) | EGIN0004639 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 10e |
| IUPAC Name | 2-(4-{[3-chloro-4-(3-chlorophenoxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethan-1-ol |
| Formula | C20H16Cl2N4O2 |
| Mass | 415.273 |
| Exact Mass | 414.0650312 |
| Composition | C (57.84%), H (3.88%), Cl (17.07%), N (13.49%), O (7.71%) |
| Atom Count | 44 |
| PI | 10.47 |
| Smiles | c1(c2n(ccc2ncn1)CCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)Cl |
| InChI | 1S/C20H16Cl2N4O2/c21-13-2-1-3-15(10-13)28-18-5-4-14(11-16(18)22)25-20-19-17(23-12-24-20)6-7-26(19)8-
9-27/h1-7,10-12,27H,8-9H2,(H,23,24,25) |
| InChIKey | YYNUBPUXFJKWOK-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 |
56849563
|
| Drug Bank Link | - |
| ChemSpider Link | 28481367 |
| ChEMBL Link | CHEMBL1923006 |
