| General Property |
| Molceule ID (DB) | EGIN0000278 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | methyl 2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(methyl)amino]acetate |
| Formula | C21H20BrN5O2 |
| Mass | 454.32 |
| Exact Mass | 453.0800376 |
| Composition | C (55.52%), H (4.44%), Br (17.59%), N (15.42%), O (7.04%) |
| Atom Count | 49 |
| PI | 10.8 |
| Smiles | c12c(cc3c(c1)c(c[nH]3)CN(C)CC(=O)OC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C21H20BrN5O2/c1-27(11-20(28)29-2)10-13-9-23-18-8-19-17(7-16(13)18)21(25-12-24-19)26-15-5-3-4-14(2
2)6-15/h3-9,12,23H,10-11H2,1-2H3,(H,24,25,26) |
| InChIKey | OHXRQVMKFRLRKO-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 | 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 |
5328296
|
| Drug Bank Link | - |
| ChemSpider Link | 4485461 |
| ChEMBL Link | CHEMBL39715 |
