| General Property |
| Molceule ID (DB) | EGIN0003172 |
| Inhibitor Class | Indolone |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one |
| Formula | C20H16N2O3 |
| Mass | 332.3526 |
| Exact Mass | 332.1160924 |
| Composition | C (72.28%), H (4.85%), N (8.43%), O (14.44%) |
| Atom Count | 41 |
| PI | 3.88 |
| Smiles | c1(c(cc(cc1)c1cc2c(cc1)/C(=C/c1[nH]ccc1)/C(=O)N2)OC)O |
| InChI | 1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,2
1,23H,1H3,(H,22,24)/b16-11- |
| InChIKey | AYSXURJZVXBSRV-WJDWOHSUSA-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 | 16242328 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDC2 | Chk1 | CHK2 | Chk2 | CK2 | MAPKAP2 | PKC | SGK | SRC | Tie2 | ALL |
| Pub Chem Link |
10125830
|
| Drug Bank Link | DB07078 |
| ChemSpider Link | 8301349 |
| ChEMBL Link | CHEMBL202930 |
