| General Property |
| Molceule ID (DB) | EGIN0004759 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | 15 |
| IUPAC Name | ethyl 4-{2-[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Formula | C27H27N5O4S |
| Mass | 517.599 |
| Exact Mass | 517.1783751 |
| Composition | C (62.65%), H (5.26%), N (13.53%), O (12.36%), S (6.19%) |
| Atom Count | 64 |
| PI | 8.38 |
| Smiles | c1c(ccc(c1)NCc1n(c(nn1)SCC(=O)Nc1ccc(cc1)C(=O)OCC)c1ccccc1)OC |
| InChI | 1S/C27H27N5O4S/c1-3-36-26(34)19-9-11-21(12-10-19)29-25(33)18-37-27-31-30-24(32(27)22-7-5-4-6-8-22)17
-28-20-13-15-23(35-2)16-14-20/h4-16,28H,3,17-18H2,1-2H3,(H,29,33) |
| InChIKey | GRMCXRROEKNGND-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 | 22227214 |
| 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 |
3135836
|
| Drug Bank Link | - |
| ChemSpider Link | 2388408 |
| ChEMBL Link | CHEMBL1944931 |
