| General Property |
| Molceule ID (DB) | EGIN0001374 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8i compound |
| IUPAC Name | 1-[(4-{[3-chloro-4-(pyrazin-2-ylmethoxy)phenyl]amino}pyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl]piperidin-4-amine |
| Formula | C23H25ClN8O |
| Mass | 464.951 |
| Exact Mass | 464.1839852 |
| Composition | C (59.41%), H (5.42%), Cl (7.63%), N (24.1%), O (3.44%) |
| Atom Count | 58 |
| PI | 12.74 |
| Smiles | n1cnn2c(c1Nc1ccc(c(c1)Cl)OCc1cnccn1)c(cc2)CN1CC[C@H](CC1)N |
| InChI | 1S/C23H25ClN8O/c24-20-11-18(1-2-21(20)33-14-19-12-26-6-7-27-19)30-23-22-16(3-10-32(22)29-15-28-23)13
-31-8-4-17(25)5-9-31/h1-3,6-7,10-12,15,17H,4-5,8-9,13-14,25H2,(H,28,29,30) |
| InChIKey | YNFCRDTVTDENKG-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 | 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 |
11590799
|
| Drug Bank Link | - |
| ChemSpider Link | 9765562 |
| ChEMBL Link | CHEMBL248321 |
