| General Property |
| Molceule ID (DB) | EGIN0004831 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[(2E)-3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-yl]pyrimidin-4-amine |
| Formula | C32H32ClFN4O2 |
| Mass | 559.073 |
| Exact Mass | 558.2197822 |
| Composition | C (68.75%), H (5.77%), Cl (6.34%), F (3.4%), N (10.02%), O (5.72%) |
| Atom Count | 72 |
| PI | 11.55 |
| Smiles | c1(c(c(ncn1)C)C/C=C/c1ccc(cc1)CN1CCOCC1)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C32H32ClFN4O2/c1-23-29(7-3-4-24-8-10-25(11-9-24)20-38-14-16-39-17-15-38)32(36-22-35-23)37-28-12-1
3-31(30(33)19-28)40-21-26-5-2-6-27(34)18-26/h2-6,8-13,18-19,22H,7,14-17,20-21H2,1H3,(H,35,36,37)/b4-
3+ |
| InChIKey | ODZVVHUYGKAWNY-ONEGZZNKSA-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 | 22101132 |
| 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 | - |
