| General Property |
| Molceule ID (DB) | EGIN0004014 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5n compound |
| IUPAC Name | 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C25H29N5O2S |
| Mass | 463.595 |
| Exact Mass | 463.2041959 |
| Composition | C (64.77%), H (6.31%), N (15.11%), O (6.9%), S (6.92%) |
| Atom Count | 62 |
| PI | 11.18 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CN(C)C)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C25H29N5O2S/c1-6-31-22-12-19-20(13-23(22)32-7-2)28-24(14-30(4)5)29-25(19)27-18-10-8-9-17(11-18)21
-15-33-16(3)26-21/h8-13,15H,6-7,14H2,1-5H3,(H,27,28,29) |
| InChIKey | HMDJBCCQNPFTJV-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 | 12190310 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | F16BP | |
| Pub Chem Link |
10288575
|
| Drug Bank Link | - |
| ChemSpider Link | 8464044 |
| ChEMBL Link | CHEMBL126360 |
