| General Property |
| Molceule ID (DB) | EGIN0004079 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1q compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-{5-[(4-methyl-1,4-diazepan-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 | 11.81 |
| Smiles | c1(c2n(ncn1)ccc2CN1CCCN(CC1)C)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C27H29FN8/c1-33-9-3-10-34(13-12-33)18-21-8-11-35-26(21)27(29-19-31-35)32-24-6-7-25-22(15-24)16-30
-36(25)17-20-4-2-5-23(28)14-20/h2,4-8,11,14-16,19H,3,9-10,12-13,17-18H2,1H3,(H,29,31,32) |
| InChIKey | KLBORDPMVQMMRO-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 | 17368025 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23292090 |
| ChEMBL Link | CHEMBL234577 |
