| General Property |
| Molceule ID (DB) | EGIN0004742 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-{3-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-1-yn-1-yl}pyrimidin-4-amine |
| Formula | C32H30ClFN4O |
| Mass | 541.058 |
| Exact Mass | 540.2092175 |
| Composition | C (71.04%), H (5.59%), Cl (6.55%), F (3.51%), N (10.36%), O (2.96%) |
| Atom Count | 69 |
| PI | 12.48 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCc1ccc(cc1)CN1CCCC1 |
| InChI | 1S/C32H30ClFN4O/c1-23-29(9-5-6-24-10-12-25(13-11-24)20-38-16-2-3-17-38)32(36-22-35-23)37-28-14-15-31
(30(33)19-28)39-21-26-7-4-8-27(34)18-26/h4,7-8,10-15,18-19,22H,2-3,6,16-17,20-21H2,1H3,(H,35,36,37) |
| InChIKey | GJLGBZPBLMKJNR-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | - |
