| General Property |
| Molceule ID (DB) | EGIN0001481 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | N-(1-benzyl-1H-indazol-5-yl)-6-{2-[(2-methanesulfonylethyl)amino]-1,3-thiazol-4-yl}quinazolin-4-amine |
| Formula | C28H25N7O2S2 |
| Mass | 555.674 |
| Exact Mass | 555.1511145 |
| Composition | C (60.52%), H (4.53%), N (17.64%), O (5.76%), S (11.54%) |
| Atom Count | 64 |
| PI | 9.59 |
| Smiles | n1(ncc2c1ccc(Nc1c3cc(c4nc(sc4)NCCS(=O)(=O)C)ccc3ncn1)c2)Cc1ccccc1 |
| InChI | 1S/C28H25N7O2S2/c1-39(36,37)12-11-29-28-34-25(17-38-28)20-7-9-24-23(14-20)27(31-18-30-24)33-22-8-10-
26-21(13-22)15-32-35(26)16-19-5-3-2-4-6-19/h2-10,13-15,17-18H,11-12,16H2,1H3,(H,29,34)(H,30,31,33) |
| InChIKey | PYTBGGBGRRJDNT-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 | 12639547 |
| 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 |
44372005
|
| Drug Bank Link | - |
| ChemSpider Link | 23228653 |
| ChEMBL Link | CHEMBL160303 |
