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 | ![](./image/EGIN0002550.png) | Structure Backbone | ![](./frame/f_EGIN0002550.png) |
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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
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Drug Bank Link | - |
ChemSpider Link | 26388051 |
ChEMBL Link | CHEMBL1684800 |