| General Property |
| Molceule ID (DB) | EGIN0001375 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8j compound |
| IUPAC Name | 2-[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-2-chlorophenoxymethyl]-1-hydroxypyridin-1-ium |
| Formula | C24H27ClN7O2 |
| Mass | 480.97 |
| Exact Mass | 480.1914759 |
| Composition | C (59.93%), H (5.66%), Cl (7.37%), N (20.39%), O (6.65%) |
| Atom Count | 61 |
| PI | 12.73 |
| Smiles | n1cnn2c(c1Nc1ccc(c(c1)Cl)OCc1cccc[n+]1O)c(cc2)CN1CC[C@H](CC1)N |
| InChI | 1S/C24H27ClN7O2/c25-21-13-19(4-5-22(21)34-15-20-3-1-2-9-32(20)33)29-24-23-17(6-12-31(23)28-16-27-24)
14-30-10-7-18(26)8-11-30/h1-6,9,12-13,16,18,33H,7-8,10-11,14-15,26H2,(H,27,28,29)/q+1 |
| InChIKey | RXQPBNKZRCVYAB-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 17606372 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL248322 |
