| General Property |
| Molceule ID (DB) | EGIN0004346 |
| Inhibitor Class | Pyridinyl-Pyrimidine |
| Molecule Name in Refrence Article | 6a compound |
| IUPAC Name | N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-(trifluoromethyl)benzamide |
| Formula | C25H20F3N5O2 |
| Mass | 479.4538 |
| Exact Mass | 479.1569095 |
| Composition | C (62.63%), H (4.2%), F (11.89%), N (14.61%), O (6.67%) |
| Atom Count | 55 |
| PI | 7.54 |
| Smiles | c1(cccnc1Oc1ccc(cc1C)NC(=O)c1cc(ccc1)C(F)(F)F)c1ccnc(n1)NC |
| InChI | 1S/C25H20F3N5O2/c1-15-13-18(32-22(34)16-5-3-6-17(14-16)25(26,27)28)8-9-21(15)35-23-19(7-4-11-30-23)2
0-10-12-31-24(29-2)33-20/h3-14H,1-2H3,(H,32,34)(H,29,31,33) |
| InChIKey | FFNIWOOLZGAOAB-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 | 20684549 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Abl | Aurora A/TPX2 | Aurora B | BTK | CDK5 | cFMS | c-kit | EphB4 | Erk1 | IGFR1 | Jak2 | Jak3 | JNK2 | KDR | Lck | p38a | p70s6 | PKBR | PLK1 | SRC | TIE2 | Zap70 | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 26352670 |
| ChEMBL Link | CHEMBL1242977 |
