| General Property |
| Molceule ID (DB) | EGIN0004728 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-{3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]prop-1-yn-1-yl}-6-methylpyrimidin-4-amine |
| Formula | C32H29ClF2N4O |
| Mass | 559.049 |
| Exact Mass | 558.1997957 |
| Composition | C (68.75%), H (5.23%), Cl (6.34%), F (6.8%), N (10.02%), O (2.86%) |
| Atom Count | 69 |
| PI | 11.93 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCc1cc(c(cc1)CN1CCCC1)F |
| InChI | 1S/C32H29ClF2N4O/c1-22-28(9-5-6-23-10-11-25(30(35)17-23)19-39-14-2-3-15-39)32(37-21-36-22)38-27-12-1
3-31(29(33)18-27)40-20-24-7-4-8-26(34)16-24/h4,7-8,10-13,16-18,21H,2-3,6,14-15,19-20H2,1H3,(H,36,37,
38) |
| InChIKey | HNCIHKCXRCYUOE-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 | 22101132 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | PDGFRb | AurA | InsR | Lck | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
