| General Property |
| Molceule ID (DB) | EGIN0004929 |
| Inhibitor Class | Dianilino-phthalimide |
| Molecule Name in Refrence Article | Metabolite 1 (M1) |
| IUPAC Name | 5-[(4-hydroxyphenyl)amino]-6-(phenylamino)-2,3-dihydro-1H-isoindole-1,3-dione |
| Formula | C20H15N3O3 |
| Mass | 345.3514 |
| Exact Mass | 345.1113414 |
| Composition | C (69.56%), H (4.38%), N (12.17%), O (13.9%) |
| Atom Count | 41 |
| PI | 4.37 |
| Smiles | c1(c(Nc2ccccc2)cc2c(c1)C(=O)NC2=O)Nc1ccc(cc1)O |
| InChI | 1S/C20H15N3O3/c24-14-8-6-13(7-9-14)22-18-11-16-15(19(25)23-20(16)26)10-17(18)21-12-4-2-1-3-5-12/h1-1
1,21-22,24H,(H,23,25,26) |
| InChIKey | AGGVZVIQMNSAPN-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 | 9816050 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | v-abl kinase | c-src kinase | Cyclic AMP-dependent protein kinase | Phosphorylase kinase | PKC alpha | PKC beta-1 | PKC beta-2 | PKC gamma | PKC delta | PKC epsilon | PK zeta | PKC eata | ALL |
| Pub Chem Link |
22918354
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
