| General Property |
| Molceule ID (DB) | EGIN0002477 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 20d compound |
| IUPAC Name | 3-[2-fluoro-4-({5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl}oxy)phenyl]-1-[3-(trifluoromethyl)phenyl]urea |
| Formula | C21H15F4N5O2 |
| Mass | 445.3697 |
| Exact Mass | 445.1161876 |
| Composition | C (56.63%), H (3.39%), F (17.06%), N (15.72%), O (7.18%) |
| Atom Count | 47 |
| PI | 7.39 |
| Smiles | n1cnc(Oc2ccc(c(c2)F)NC(=O)Nc2cc(ccc2)C(F)(F)F)c2c1ccn2C |
| InChI | 1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9
-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31) |
| InChIKey | TWOLOZGQZKJZKJ-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 | 20833055 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AurolaA | B-raf | c-kit | ERK1 | FAK | FGFR1 | GSK-3 beta | IGF1R | IR | PDGFR beta | PDGFR alpha | PKC theta | Src | TIE2 | VEGFR1 | VEGFR2 | ALL |
| Pub Chem Link |
15949613
|
| Drug Bank Link | - |
| ChemSpider Link | 13091439 |
| ChEMBL Link | CHEMBL1254007 |
