| General Property |
| Molceule ID (DB) | EGIN0001883 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | 4-({5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)thiomorpholin-1-ium-1-olate |
| Formula | C30H26ClFN4O3S |
| Mass | 577.069 |
| Exact Mass | 576.1398173 |
| Composition | C (62.44%), H (4.54%), Cl (6.14%), F (3.29%), N (9.71%), O (8.32%), S (5.56%) |
| Atom Count | 66 |
| PI | 10.9 |
| Smiles | C(N1CC[S@@+](CC1)[O-])c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
| InChI | 1S/C30H26ClFN4O3S/c31-26-16-23(5-8-29(26)38-18-20-2-1-3-22(32)14-20)35-30-25-15-21(4-7-27(25)33-19-3
4-30)28-9-6-24(39-28)17-36-10-12-40(37)13-11-36/h1-9,14-16,19H,10-13,17-18H2,(H,33,34,35) |
| InChIKey | BHZWACACNOOTKB-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 |
9829680
|
| Drug Bank Link | - |
| ChemSpider Link | 8005415 |
| ChEMBL Link | CHEMBL212954 |
