| General Property |
| Molceule ID (DB) | EGIN0000630 |
| Inhibitor Class | Benzamidine |
| Molecule Name in Refrence Article | 3d compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2,2-dimethyl-1,2-dihydroquinazolin-4-amine |
| Formula | C18H19ClFN3O2 |
| Mass | 363.814 |
| Exact Mass | 363.1149828 |
| Composition | C (59.42%), H (5.26%), Cl (9.74%), F (5.22%), N (11.55%), O (8.8%) |
| Atom Count | 44 |
| PI | 8.96 |
| Smiles | CC1(Nc2c(cc(c(c2)OC)OC)C(=N1)Nc1ccc(c(c1)Cl)F)C |
| InChI | 1S/C18H19ClFN3O2/c1-18(2)22-14-9-16(25-4)15(24-3)8-11(14)17(23-18)21-10-5-6-13(20)12(19)7-10/h5-9,22
H,1-4H3,(H,21,23) |
| InChIKey | UJOGNYLLSLDSQY-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 | 15186837 |
| 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 | 23165993 |
| ChEMBL Link | CHEMBL77917 |
