| General Property |
| Molceule ID (DB) | EGIN0003399 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 3-methanesulfonylpropyl N-(4-{[2,4-difluoro-5-(methoxycarbamoyl)phenyl]amino}-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate |
| Formula | C22H26F2N6O6S |
| Mass | 540.54 |
| Exact Mass | 540.1602597 |
| Composition | C (48.88%), H (4.85%), F (7.03%), N (15.55%), O (17.76%), S (5.93%) |
| Atom Count | 63 |
| PI | 5.99 |
| Smiles | c12n(cc(c2C(C)C)NC(=O)OCCCS(=O)(=O)C)ncnc1Nc1cc(c(cc1F)F)C(=O)NOC |
| InChI | 1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21
(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27) |
| InChIKey | ITQSJZWWFWDOKJ-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 | 15943473 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR beta | IGF1R | CDK2 | PKC alpha | Flk-1 | LCK | FGFR1 | VEGFR2 | ALL |
| Pub Chem Link |
9893493
|
| Drug Bank Link | - |
| ChemSpider Link | 8069163 |
| ChEMBL Link | CHEMBL195218 |
