| General Property |
| Molceule ID (DB) | EGIN0001358 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1l compound |
| IUPAC Name | N-(1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidin-4-yl)acetamide |
| Formula | C28H29FN8O |
| Mass | 512.5813 |
| Exact Mass | 512.2448358 |
| Composition | C (65.61%), H (5.7%), F (3.71%), N (21.86%), O (3.12%) |
| Atom Count | 67 |
| PI | 11.16 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@H](CC1)NC(=O)C |
| InChI | 1S/C28H29FN8O/c1-19(38)33-24-8-10-35(11-9-24)17-21-7-12-36-27(21)28(30-18-32-36)34-25-5-6-26-22(14-2
5)15-31-37(26)16-20-3-2-4-23(29)13-20/h2-7,12-15,18,24H,8-11,16-17H2,1H3,(H,33,38)(H,30,32,34) |
| InChIKey | VNSGZPKJDBAOQI-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 |
22390556
|
| Drug Bank Link | - |
| ChemSpider Link | 11389103 |
| ChEMBL Link | CHEMBL247512 |
