| General Property |
| Molceule ID (DB) | EGIN0000641 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | GW9525 |
| IUPAC Name | N-[4-(benzenesulfonyl)phenyl]-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C28H26N4O5S2 |
| Mass | 562.66 |
| Exact Mass | 562.1344613 |
| Composition | C (59.77%), H (4.66%), N (9.96%), O (14.22%), S (11.4%) |
| Atom Count | 65 |
| PI | 10.84 |
| Smiles | c12c(ccc(c1)c1oc(cc1)CNCCS(=O)(=O)C)ncnc2Nc1ccc(cc1)S(=O)(=O)c1ccccc1 |
| InChI | 1S/C28H26N4O5S2/c1-38(33,34)16-15-29-18-22-10-14-27(37-22)20-7-13-26-25(17-20)28(31-19-30-26)32-21-8
-11-24(12-9-21)39(35,36)23-5-3-2-4-6-23/h2-14,17,19,29H,15-16,18H2,1H3,(H,30,31,32) |
| InChIKey | XAQUARANYHJQBE-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 | 11585755 |
| 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 |
9850830
|
| Drug Bank Link | - |
| ChemSpider Link | 8026543 |
| ChEMBL Link | - |
