| General Property |
| Molceule ID (DB) | EGIN0004025 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 4u compound |
| IUPAC Name | 4-(6,7-dimethoxyquinazolin-4-yl)-N-(thiophen-3-yl)piperazine-1-carboxamide |
| Formula | C19H21N5O3S |
| Mass | 399.467 |
| Exact Mass | 399.1365103 |
| Composition | C (57.13%), H (5.3%), N (17.53%), O (12.02%), S (8.03%) |
| Atom Count | 49 |
| PI | 8.82 |
| Smiles | c12c(N3CCN(C(=O)Nc4ccsc4)CC3)ncnc1cc(c(c2)OC)OC |
| InChI | 1S/C19H21N5O3S/c1-26-16-9-14-15(10-17(16)27-2)20-12-21-18(14)23-4-6-24(7-5-23)19(25)22-13-3-8-28-11-
13/h3,8-12H,4-7H2,1-2H3,(H,22,25) |
| InChIKey | SACBQFMSEKIABM-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 | FGFR | PKA | PKC | beta PDGFR | Flt3 | c-kit | ALL |
| Pub Chem Link |
10386217
|
| Drug Bank Link | - |
| ChemSpider Link | 8561659 |
| ChEMBL Link | CHEMBL343521 |
