| General Property |
| Molceule ID (DB) | EGIN0001113 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 28 Compound |
| IUPAC Name | 4-N-[4-(benzyloxy)-3-chlorophenyl]-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C19H18ClN5O2 |
| Mass | 383.832 |
| Exact Mass | 383.1149026 |
| Composition | C (59.45%), H (4.73%), Cl (9.24%), N (18.25%), O (8.34%) |
| Atom Count | 45 |
| PI | 10.58 |
| Smiles | c1(ncnc(c1/C=N/OC)N)Nc1cc(c(cc1)OCc1ccccc1)Cl |
| InChI | 1S/C19H18ClN5O2/c1-26-24-10-15-18(21)22-12-23-19(15)25-14-7-8-17(16(20)9-14)27-11-13-5-3-2-4-6-13/h2
-10,12H,11H2,1H3,(H3,21,22,23,25)/b24-10+ |
| InChIKey | DFPVBLYULSUJRC-YSURURNPSA-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 |
17747138
|
| Drug Bank Link | - |
| ChemSpider Link | 23315454 |
| ChEMBL Link | CHEMBL257815 |
