| General Property |
| Molceule ID (DB) | EGIN0001964 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | 1-[(2R)-2-{[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]methyl}pyrrolidin-1-yl]-2-hydroxyethan-1-one |
| Formula | C27H26ClN5O4 |
| Mass | 519.979 |
| Exact Mass | 519.1673321 |
| Composition | C (62.37%), H (5.04%), Cl (6.82%), N (13.47%), O (12.31%) |
| Atom Count | 63 |
| PI | 9.12 |
| Smiles | c1ccc2c(c1OC[C@@H]1N(CCC1)C(=O)CO)c(ncn2)Nc1cc(c(cc1)OCc1ncccc1)Cl |
| InChI | 1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)
37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m1/s1 |
| InChIKey | FSHWIHXFSFIOAL-HXUWFJFHSA-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 | 17869514 |
| 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 |
11706282
|
| Drug Bank Link | - |
| ChemSpider Link | 9881005 |
| ChEMBL Link | CHEMBL249927 |
