| General Property |
| Molceule ID (DB) | EGIN0004994 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 12 |
| IUPAC Name | 7â€cyclopentylâ€5â€(4â€phenoxyphenyl)â€7Hâ€pyrrolo[2,3â€d]pyrimidinâ€4â€amine |
| Formula | C23H22N4O |
| Mass | 370.447 |
| Exact Mass | 370.179361346 |
| Composition | C (74.57%), H (5.99%), N (15.12%), O (4.32%) |
| Atom Count | 50 |
| PI | - |
| Smiles | [H]N([H])C1=NC([H])=NC2=C1C(=C([H])N2C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H] |
| InChI | 1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9
-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26) |
| InChIKey | FMETVQKSDIOGPX-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 | 22607878 |
| 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 |
6603792
|
| Drug Bank Link | - |
| ChemSpider Link | 5036104 |
| ChEMBL Link | CHEMBL47940 |
