| General Property |
| Molceule ID (DB) | EGIN0004992 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 7 |
| IUPAC Name | Nâ€{2â€[(4â€chlorophenyl)sulfanyl]ethyl}â€6,7â€dimethoxyquinazolinâ€4â€amine |
| Formula | C18H18ClN3O2S |
| Mass | 375.872 |
| Exact Mass | 375.080825232 |
| Composition | C (57.52%), H (4.83%), Cl (9.43%), N (11.18%), O (8.51%), S (8.53%) |
| Atom Count | 43 |
| PI | 12.98 |
| Smiles | [H]N(C1=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C2=NC([H])=N1)C([H])([H])C([H])([H])SC1=C([H])C([H])=C(Cl)C([H])=C1[H] |
| InChI | 1S/C18H18ClN3O2S/c1-23-16-9-14-15(10-17(16)24-2)21-11-22-18(14)20-7-8-25-13-5-3-12(19)4-6-13/h3-6,9-
11H,7-8H2,1-2H3,(H,20,21,22) |
| InChIKey | JTRUUGDWAMOOIQ-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 | 22607878 |
| 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 |
3516647
|
| Drug Bank Link | - |
| ChemSpider Link | 2756096 |
| ChEMBL Link | - |
