| General Property |
| Molceule ID (DB) | EGIN0000268 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3c compound |
| IUPAC Name | (2S)-3-{4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-8-yl}propane-1,2-diol |
| Formula | C19H17BrN4O2 |
| Mass | 413.268 |
| Exact Mass | 412.0534885 |
| Composition | C (55.22%), H (4.15%), Br (19.33%), N (13.56%), O (7.74%) |
| Atom Count | 43 |
| PI | 8.71 |
| Smiles | c12c(cc3c(c1)ccn3C[C@@H](CO)O)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C19H17BrN4O2/c20-13-2-1-3-14(7-13)23-19-16-6-12-4-5-24(9-15(26)10-25)18(12)8-17(16)21-11-22-19/h1
-8,11,15,25-26H,9-10H2,(H,21,22,23)/t15-/m0/s1 |
| InChIKey | VBSAGPWININOEH-HNNXBMFYSA-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 | 9154973 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
5328286
|
| Drug Bank Link | - |
| ChemSpider Link | 4485451 |
| ChEMBL Link | CHEMBL416611 |
