| General Property |
| Molceule ID (DB) | EGIN0004080 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1r compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-{5-[(4-methanesulfonyl-1,4-diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1H-indazol-5-amine |
| Formula | C27H29FN8O2S |
| Mass | 548.635 |
| Exact Mass | 548.2118211 |
| Composition | C (59.11%), H (5.33%), F (3.46%), N (20.42%), O (5.83%), S (5.84%) |
| Atom Count | 68 |
| PI | 10.75 |
| Smiles | c1(c2n(ncn1)ccc2CN1CCCN(CC1)S(=O)(=O)C)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C27H29FN8O2S/c1-39(37,38)34-10-3-9-33(12-13-34)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 | XHEGSRSQWOQKMA-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 11388994 |
| ChEMBL Link | CHEMBL400413 |
