| General Property |
| Molceule ID (DB) | EGIN0004786 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12 |
| IUPAC Name | 2-amino-2-[2-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)ethyl]propane-1,3-diol |
| Formula | C20H22ClFN4O4 |
| Mass | 436.864 |
| Exact Mass | 436.1313611 |
| Composition | C (54.99%), H (5.08%), Cl (8.12%), F (4.35%), N (12.82%), O (14.65%) |
| Atom Count | 52 |
| PI | 11.79 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCC(CO)(N)CO |
| InChI | 1S/C20H22ClFN4O4/c1-29-17-8-16-13(7-18(17)30-5-4-20(23,9-27)10-28)19(25-11-24-16)26-12-2-3-15(22)14(
21)6-12/h2-3,6-8,11,27-28H,4-5,9-10,23H2,1H3,(H,24,25,26) |
| InChIKey | RBFZCADNFNXQRS-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 | 11459659 |
| 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 | - |
| ChEMBL Link | - |
