| General Property |
| Molceule ID (DB) | EGIN0002550 |
| Inhibitor Class | Pyrazoleamide |
| Molecule Name in Refrence Article | 7c compound |
| IUPAC Name | N-{5-amino-1-[(4-methoxyphenyl)methyl]-1H-pyrazol-4-yl}-5-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-2-methylbenzamide |
| Formula | C27H24ClF3N6O3 |
| Mass | 572.966 |
| Exact Mass | 572.155051 |
| Composition | C (56.6%), H (4.22%), Cl (6.19%), F (9.95%), N (14.67%), O (8.38%) |
| Atom Count | 64 |
| PI | 6.46 |
| Smiles | c1c(ccc(c1)Cn1ncc(c1N)NC(=O)c1cc(ccc1C)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl)OC |
| InChI | 1S/C27H24ClF3N6O3/c1-15-3-6-17(34-26(39)35-18-7-10-22(28)21(12-18)27(29,30)31)11-20(15)25(38)36-23-1
3-33-37(24(23)32)14-16-4-8-19(40-2)9-5-16/h3-13H,14,32H2,1-2H3,(H,36,38)(H2,34,35,39) |
| InChIKey | ZJDFSKSBQBPOSK-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 | 21353571 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | BRAF | C-Raf | FGFR3 | IGF-1R | mTOR/FRAP1 | GSK3-beta | FAK/PTK2 | AKT1 | PLK1 | TRKB/NTRK2 | JNK1a1 | ALK | c-MET | FLT3 | JNK3/MAPK10 | c-Src | EGFR/ERBB1 | b-RAF | RAF1 | ALL |
| Pub Chem Link |
52938983
|
| Drug Bank Link | - |
| ChemSpider Link | 26388051 |
| ChEMBL Link | CHEMBL1684800 |
