| General Property |
| Molceule ID (DB) | EGIN0005066 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 24 |
| IUPAC Name | Nâ€{4â€[(3â€chlorophenyl)amino]quinazolinâ€6â€yl}â€2â€hydroxyâ€4â€methylbenzamide |
| Formula | C22H17ClN4O2 |
| Mass | 404.849 |
| Exact Mass | 404.104003515 |
| Composition | C (65.27%), H (4.23%), Cl (8.76%), N (13.84%), O (7.9%) |
| Atom Count | 46 |
| PI | 5.99 |
| Smiles | [H]OC1=C(C([H])=C([H])C(=C1[H])C([H])([H])[H])C(=O)N([H])C1=C([H])C2=C(N=C([H])N=C2N([H])C2=C([H])C(Cl)=C([H])C([H])=C2[H])C([H])=C1[H] |
| InChI | 1S/C22H17ClN4O2/c1-13-5-7-17(20(28)9-13)22(29)27-16-6-8-19-18(11-16)21(25-12-24-19)26-15-4-2-3-14(23
)10-15/h2-12,28H,1H3,(H,27,29)(H,24,25,26) |
| InChIKey | KHLCMTNNKMMKLK-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 | 29394756 |
| ChEMBL Link | CHEMBL2316143 |
