| General Property |
| Molceule ID (DB) | EGIN0004447 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 6a |
| IUPAC Name | N-(3-chloro-4-phenoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C18H13ClN4O |
| Mass | 336.775 |
| Exact Mass | 336.0777888 |
| Composition | C (64.19%), H (3.89%), Cl (10.53%), N (16.64%), O (4.75%) |
| Atom Count | 37 |
| PI | 9.61 |
| Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1ccccc1 |
| InChI | 1S/C18H13ClN4O/c19-14-10-12(6-7-16(14)24-13-4-2-1-3-5-13)23-18-17-15(8-9-20-17)21-11-22-18/h1-11,20H
,(H,21,22,23) |
| InChIKey | ZXNLHZGFHDHRCO-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 |
56851290
|
| Drug Bank Link | - |
| ChemSpider Link | 28480183 |
| ChEMBL Link | CHEMBL1922897 |
