| General Property |
| Molceule ID (DB) | EGIN0003400 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | (2S)-oxolan-2-ylmethyl 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 | C23H26F2N6O5 |
| Mass | 504.4865 |
| Exact Mass | 504.1932744 |
| Composition | C (54.76%), H (5.19%), F (7.53%), N (16.66%), O (15.86%) |
| Atom Count | 62 |
| PI | 5.99 |
| Smiles | c12n(cc(c2C(C)C)NC(=O)OC[C@H]2OCCC2)ncnc1Nc1cc(c(cc1F)F)C(=O)NOC |
| InChI | 1S/C23H26F2N6O5/c1-12(2)19-18(29-23(33)36-10-13-5-4-6-35-13)9-31-20(19)21(26-11-27-31)28-17-7-14(22(
32)30-34-3)15(24)8-16(17)25/h7-9,11-13H,4-6,10H2,1-3H3,(H,29,33)(H,30,32)(H,26,27,28)/t13-/m0/s1 |
| InChIKey | XYGDYCMPYIUPHS-ZDUSSCGKSA-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 | FGFR1 | LCK | VEGFR2 | ALL |
| Pub Chem Link |
11477626
|
| Drug Bank Link | - |
| ChemSpider Link | 9652454 |
| ChEMBL Link | CHEMBL370266 |
