| General Property |
| Molceule ID (DB) | EGIN0004015 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5p compound |
| IUPAC Name | 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine |
| Formula | C27H31N5O2S |
| Mass | 489.632 |
| Exact Mass | 489.219846 |
| Composition | C (66.23%), H (6.38%), N (14.3%), O (6.54%), S (6.55%) |
| Atom Count | 66 |
| PI | 11.3 |
| Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CN1CCCC1)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C27H31N5O2S/c1-4-33-24-14-21-22(15-25(24)34-5-2)30-26(16-32-11-6-7-12-32)31-27(21)29-20-10-8-9-19
(13-20)23-17-35-18(3)28-23/h8-10,13-15,17H,4-7,11-12,16H2,1-3H3,(H,29,30,31) |
| InChIKey | WKQJQIBZGUGCDW-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 |
10239025
|
| Drug Bank Link | - |
| ChemSpider Link | 8414512 |
| ChEMBL Link | CHEMBL338673 |
