| General Property |
| Molceule ID (DB) | EGIN0004489 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 4c |
| IUPAC Name | ol |
| Formula | C27H31ClFN4O4 |
| Mass | 530.011 |
| Exact Mass | 529.2017864 |
| Composition | C (61.19%), H (5.9%), Cl (6.69%), F (3.58%), N (10.57%), O (12.07%) |
| Atom Count | 68 |
| PI | 10.65 |
| Smiles | c1c(c(cc2c1c(c(cn2)C(=O)NC1CC(N(C(C1)(C)C)[O])(C)C)Nc1ccc(c(c1)Cl)F)OC)OC |
| InChI | 1S/C27H31ClFN4O4/c1-26(2)12-16(13-27(3,4)33(26)35)32-25(34)18-14-30-21-11-23(37-6)22(36-5)10-17(21)2
4(18)31-15-7-8-20(29)19(28)9-15/h7-11,14,16H,12-13H2,1-6H3,(H,30,31)(H,32,34) |
| InChIKey | UYERHRWQQVHNFN-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 | 22309911 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
57398687
|
| Drug Bank Link | - |
| ChemSpider Link | 28491639 |
| ChEMBL Link | CHEMBL1947121 |
