| General Property |
| Molceule ID (DB) | EGIN0004069 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | AG538 |
| IUPAC Name | (2E)-2-[(E)-[(1S)-3,4-dihydroxycyclohexa-2,4-dien-1-yl]carbonyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile |
| Formula | C16H13NO5 |
| Mass | 299.2781 |
| Exact Mass | 299.0793725 |
| Composition | C (64.21%), H (4.38%), N (4.68%), O (26.73%) |
| Atom Count | 35 |
| PI | No isoelectric point. |
| Smiles | c1c(c(ccc1/C=C(C#N)/C(=O)[C@H]1CC=C(C(=C1)O)O)O)O |
| InChI | 1S/C16H13NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1,3-7,10,18-21H,2H2/b11
-5+/t10-/m0/s1 |
| InChIKey | BGPRCOUANGKOJL-XXNJBDPSSA-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 | 16279804 |
| 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 | - |
