| General Property |
| Molceule ID (DB) | EGIN0004321 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(propan-2-yl)-1,2,4-thiadiazole-5-carboxamide |
| Formula | C20H17BrN6OS |
| Mass | 469.358 |
| Exact Mass | 468.0367925 |
| Composition | C (51.18%), H (3.65%), Br (17.02%), N (17.91%), O (3.41%), S (6.83%) |
| Atom Count | 46 |
| PI | 6.09 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)c1nc(ns1)C(C)C |
| InChI | 1S/C20H17BrN6OS/c1-11(2)17-26-20(29-27-17)19(28)25-14-6-7-16-15(9-14)18(23-10-22-16)24-13-5-3-4-12(2
1)8-13/h3-11H,1-2H3,(H,25,28)(H,22,23,24) |
| InChIKey | JYRQQTDGMXEQRW-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 | 20151670 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24653608 |
| ChEMBL Link | CHEMBL606403 |
