| General Property |
| Molceule ID (DB) | EGIN0003192 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3n compound |
| IUPAC Name | N-{2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}-3-(morpholin-4-yl)benzamide |
| Formula | C28H27ClN4O4 |
| Mass | 518.991 |
| Exact Mass | 518.1720831 |
| Composition | C (64.8%), H (5.24%), Cl (6.83%), N (10.8%), O (12.33%) |
| Atom Count | 64 |
| PI | 6.85 |
| Smiles | c12cc(c(cc1ncnc2Cc1cc(c(cc1)Cl)NC(=O)c1cc(ccc1)N1CCOCC1)OC)OC |
| InChI | 1S/C28H27ClN4O4/c1-35-26-15-21-23(30-17-31-24(21)16-27(26)36-2)12-18-6-7-22(29)25(13-18)32-28(34)19-
4-3-5-20(14-19)33-8-10-37-11-9-33/h3-7,13-17H,8-12H2,1-2H3,(H,32,34) |
| InChIKey | SBGYBIPNPFVINT-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 | 15454232 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | p38 alpha | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL184052 |
