| General Property |
| Molceule ID (DB) | EGIN0001112 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 27 Compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-indol-5-yl}-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C21H21FN6O |
| Mass | 392.4294 |
| Exact Mass | 392.1760875 |
| Composition | C (64.27%), H (5.39%), F (4.84%), N (21.42%), O (4.08%) |
| Atom Count | 50 |
| PI | 11.25 |
| Smiles | C(c1cc(ccc1)F)N1c2ccc(Nc3ncnc(c3/C=N/OC)N)cc2CC1 |
| InChI | 1S/C21H21FN6O/c1-29-26-11-18-20(23)24-13-25-21(18)27-17-5-6-19-15(10-17)7-8-28(19)12-14-3-2-4-16(22)
9-14/h2-6,9-11,13H,7-8,12H2,1H3,(H3,23,24,25,27)/b26-11+ |
| InChIKey | IHENPELYHGNHBT-KBKYJPHKSA-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 | 18508264 |
| 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 |
17747376
|
| Drug Bank Link | - |
| ChemSpider Link | 23315453 |
| ChEMBL Link | CHEMBL257814 |
