| General Property |
| Molceule ID (DB) | EGIN0004023 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 6a compound |
| IUPAC Name | (E)-N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboimidothioic acid |
| Formula | C22H25N5O2S |
| Mass | 423.531 |
| Exact Mass | 423.1728958 |
| Composition | C (62.39%), H (5.95%), N (16.54%), O (7.56%), S (7.57%) |
| Atom Count | 55 |
| PI | 9.46 |
| Smiles | c12c(N3CCN(/C(=NCc4ccccc4)/S)CC3)ncnc1cc(c(c2)OC)OC |
| InChI | 1S/C22H25N5O2S/c1-28-19-12-17-18(13-20(19)29-2)24-15-25-21(17)26-8-10-27(11-9-26)22(30)23-14-16-6-4-
3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,30) |
| InChIKey | GMGARXSMYFVUCD-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 | 12238930 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | FGFR | CSF1R | Erk | Flt3 | Jnk | Mek1 | Mkk3 | Mkk6 | p38 | PKA | PKC | Src | alpha-PDGFR | c-kit | beta PDGFR | ALL |
| Pub Chem Link |
11729539
|
| Drug Bank Link | - |
| ChemSpider Link | 9904255 |
| ChEMBL Link | CHEMBL319894 |
