| General Property |
| Molceule ID (DB) | EGIN0001387 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5k compound |
| IUPAC Name | ethyl 5-(4-methylphenyl)-4-[(1-phenyl-1H-indazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C29H24N6O2 |
| Mass | 488.5399 |
| Exact Mass | 488.196074 |
| Composition | C (71.3%), H (4.95%), N (17.2%), O (6.55%) |
| Atom Count | 61 |
| PI | 7.71 |
| Smiles | c1(c2n(ncn1)cc(c2c1ccc(cc1)C)C(=O)OCC)Nc1cc2c(cc1)n(nc2)c1ccccc1 |
| InChI | 1S/C29H24N6O2/c1-3-37-29(36)24-17-34-27(26(24)20-11-9-19(2)10-12-20)28(30-18-32-34)33-22-13-14-25-21
(15-22)16-31-35(25)23-7-5-4-6-8-23/h4-18H,3H2,1-2H3,(H,30,32,33) |
| InChIKey | OOPPQXCQYTWEHC-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 | 16111887 |
| 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 | - |
| ChEMBL Link | CHEMBL197568 |
