| General Property |
| Molceule ID (DB) | EGIN0001880 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | 2-[({5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)(2-methanesulfonylethyl)amino]acetonitrile |
| Formula | C31H27ClFN5O4S |
| Mass | 620.094 |
| Exact Mass | 619.145631 |
| Composition | C (60.04%), H (4.39%), Cl (5.72%), F (3.06%), N (11.29%), O (10.32%), S (5.17%) |
| Atom Count | 70 |
| PI | 9.91 |
| Smiles | C(N(CCS(=O)(=O)C)CC#N)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
| InChI | 1S/C31H27ClFN5O4S/c1-43(39,40)14-13-38(12-11-34)18-25-7-10-29(42-25)22-5-8-28-26(16-22)31(36-20-35-2
8)37-24-6-9-30(27(32)17-24)41-19-21-3-2-4-23(33)15-21/h2-10,15-17,20H,12-14,18-19H2,1H3,(H,35,36,37) |
| InChIKey | JGUKCUUOQNQOBB-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 | 16777410 |
| 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 |
9873849
|
| Drug Bank Link | - |
| ChemSpider Link | 8049538 |
| ChEMBL Link | CHEMBL384407 |
