| General Property |
| Molceule ID (DB) | EGIN0004841 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | (2Z)-4-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-methylpyrimidin-5-yl]-2-fluoro-N-[2-(pyrrolidin-1-yl)ethyl]but-2-enamide |
| Formula | C28H30ClF2N5O2 |
| Mass | 542.02 |
| Exact Mass | 541.2056093 |
| Composition | C (62.05%), H (5.58%), Cl (6.54%), F (7.01%), N (12.92%), O (5.9%) |
| Atom Count | 68 |
| PI | 10.08 |
| Smiles | c1(c(c(ncn1)C)C/C=C(F)/C(=O)NCCN1CCCC1)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C28H30ClF2N5O2/c1-19-23(8-9-25(31)28(37)32-11-14-36-12-2-3-13-36)27(34-18-33-19)35-22-7-10-26(24(
29)16-22)38-17-20-5-4-6-21(30)15-20/h4-7,9-10,15-16,18H,2-3,8,11-14,17H2,1H3,(H,32,37)(H,33,34,35)/b
25-9- |
| InChIKey | HQPAPZHZFJHDHZ-MWYAZZEHSA-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 | - |
