| General Property |
| Molceule ID (DB) | EGIN0004348 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 (AL237) |
| IUPAC Name | N-[2-({2-[(2E)-3-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}triaz-2-en-1-yl]ethyl}(methyl)amino)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide |
| Formula | C31H34ClN9O2S |
| Mass | 632.179 |
| Exact Mass | 631.2244698 |
| Composition | C (58.9%), H (5.42%), Cl (5.61%), N (19.94%), O (5.06%), S (5.07%) |
| Atom Count | 78 |
| PI | 8.42 |
| Smiles | C(N/N=N/c1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)CN(CCNS(=O)(=O)c1c2cccc(c2ccc1)N(C)C)C |
| InChI | 1S/C31H34ClN9O2S/c1-40(2)29-11-5-10-26-25(29)9-6-12-30(26)44(42,43)36-16-18-41(3)17-15-35-39-38-24-1
3-14-28-27(20-24)31(34-21-33-28)37-23-8-4-7-22(32)19-23/h4-14,19-21,36H,15-18H2,1-3H3,(H,35,38)(H,33
,34,37) |
| InChIKey | KYVRWAGUEBMRLC-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 | 20151639 |
| 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 | 24644601 |
| ChEMBL Link | CHEMBL591897 |
