| General Property |
| Molceule ID (DB) | EGIN0000274 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | 2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(2-hydroxyethyl)amino]ethan-1-ol |
| Formula | C21H22BrN5O2 |
| Mass | 456.336 |
| Exact Mass | 455.0956876 |
| Composition | C (55.27%), H (4.86%), Br (17.51%), N (15.35%), O (7.01%) |
| Atom Count | 51 |
| PI | 11.68 |
| Smiles | c12c(cc3c(c1)c(c[nH]3)CN(CCO)CCO)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C21H22BrN5O2/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27(4-6-28)5-7-29)11-23-19(17)10-20(18)24-13
-25-21/h1-3,8-11,13,23,28-29H,4-7,12H2,(H,24,25,26) |
| InChIKey | OSXILVFPMQVTSK-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 |
5328292
|
| Drug Bank Link | - |
| ChemSpider Link | 4485457 |
| ChEMBL Link | CHEMBL36164 |
