| General Property |
| Molceule ID (DB) | EGIN0004704 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-{3-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]prop-1-yn-1-yl}pyrimidin-4-amine |
| Formula | C29H27ClFN5OS |
| Mass | 548.074 |
| Exact Mass | 547.1608871 |
| Composition | C (63.55%), H (4.97%), Cl (6.47%), F (3.47%), N (12.78%), O (2.92%), S (5.85%) |
| Atom Count | 65 |
| PI | 11.84 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCc1sc(cn1)CN1CCCC1 |
| InChI | 1S/C29H27ClFN5OS/c1-20-25(8-5-9-28-32-16-24(38-28)17-36-12-2-3-13-36)29(34-19-33-20)35-23-10-11-27(2
6(30)15-23)37-18-21-6-4-7-22(31)14-21/h4,6-7,10-11,14-16,19H,2-3,9,12-13,17-18H2,1H3,(H,33,34,35) |
| InChIKey | ALUNVBPVNDBMGF-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 | - |
