| General Property |
| Molceule ID (DB) | EGIN0004083 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1u compound |
| IUPAC Name | (6S)-1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}-1,4-diazepan-6-ol |
| Formula | C26H27FN8O |
| Mass | 486.544 |
| Exact Mass | 486.2291857 |
| Composition | C (64.18%), H (5.59%), F (3.9%), N (23.03%), O (3.29%) |
| Atom Count | 63 |
| PI | 11.75 |
| Smiles | c1(c2n(ncn1)ccc2CN1C[C@H](CNCC1)O)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C26H27FN8O/c27-21-3-1-2-18(10-21)14-35-24-5-4-22(11-20(24)12-30-35)32-26-25-19(6-8-34(25)31-17-29
-26)15-33-9-7-28-13-23(36)16-33/h1-6,8,10-12,17,23,28,36H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1 |
| InChIKey | JIGUCXPMOHEAMU-QHCPKHFHSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23292092 |
| ChEMBL Link | CHEMBL233325 |
