| General Property |
| Molceule ID (DB) | EGIN0004420 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 8e |
| IUPAC Name | N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C19H14Cl2N4O |
| Mass | 385.247 |
| Exact Mass | 384.0544665 |
| Composition | C (59.24%), H (3.66%), Cl (18.41%), N (14.54%), O (4.15%) |
| Atom Count | 40 |
| PI | 10.9 |
| Smiles | c1(c2n(ccc2ncn1)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)Cl |
| InChI | 1S/C19H14Cl2N4O/c1-25-8-7-16-18(25)19(23-11-22-16)24-13-5-6-17(15(21)10-13)26-14-4-2-3-12(20)9-14/h2
-11H,1H3,(H,22,23,24) |
| InChIKey | FXRLTQRMUHOCQN-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 |
56849558
|
| Drug Bank Link | - |
| ChemSpider Link | 28484917 |
| ChEMBL Link | CHEMBL1923003 |
