| General Property |
| Molceule ID (DB) | EGIN0001354 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1h compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-(5-{[4-(methylamino)piperidin-1-yl]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine |
| Formula | C27H29FN8 |
| Mass | 484.5712 |
| Exact Mass | 484.2499212 |
| Composition | C (66.92%), H (6.03%), F (3.92%), N (23.12%) |
| Atom Count | 65 |
| PI | 12.53 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@@H](CC1)NC |
| InChI | 1S/C27H29FN8/c1-29-23-8-10-34(11-9-23)17-20-7-12-35-26(20)27(30-18-32-35)33-24-5-6-25-21(14-24)15-31
-36(25)16-19-3-2-4-22(28)13-19/h2-7,12-15,18,23,29H,8-11,16-17H2,1H3,(H,30,32,33) |
| InChIKey | MLYHNVDOBUQIID-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 |
10227907
|
| Drug Bank Link | - |
| ChemSpider Link | 8403397 |
| ChEMBL Link | CHEMBL391779 |
