| General Property |
| Molceule ID (DB) | EGIN0005063 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 |
| IUPAC Name | N‐{4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}‐2‐hydroxy‐4‐(trifluoromethyl)benzamide |
| Formula | C22H14BrF3N4O2 |
| Mass | 503.271 |
| Exact Mass | 502.025222974 |
| Composition | C (52.5%), H (2.8%), Br (15.88%), F (11.32%), N (11.13%), O (6.36%) |
| Atom Count | 46 |
| PI | 5.71 |
| Smiles | [H]OC1=C(C([H])=C([H])C(=C1[H])C(F)(F)F)C(=O)N([H])C1=C([H])C([H])=C2N=C([H])N=C(N([H])C3=C([H])C(Br)=C([H])C([H])=C3[H])C2=C1[H] |
| InChI | 1S/C22H14BrF3N4O2/c23-13-2-1-3-14(9-13)29-20-17-10-15(5-7-18(17)27-11-28-20)30-21(32)16-6-4-12(8-19(
16)31)22(24,25)26/h1-11,31H,(H,30,32)(H,27,28,29) |
| InChIKey | WCOVFXVCWRMHFE-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 | 23936329 |
| 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 | 29398342 |
| ChEMBL Link | CHEMBL2316140 |
