| General Property |
| Molceule ID (DB) | EGIN0001353 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1g compound |
| IUPAC Name | N-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1-[(3-fluorophenyl)methyl]-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 | 12.37 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@@H](CC1)CN |
| InChI | 1S/C27H29FN8/c28-23-3-1-2-20(12-23)16-36-25-5-4-24(13-22(25)15-31-36)33-27-26-21(8-11-35(26)32-18-30
-27)17-34-9-6-19(14-29)7-10-34/h1-5,8,11-13,15,18-19H,6-7,9-10,14,16-17,29H2,(H,30,32,33) |
| InChIKey | PHYKCHVITBAQIF-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 |
10288920
|
| Drug Bank Link | - |
| ChemSpider Link | 8464389 |
| ChEMBL Link | CHEMBL391778 |
