General Property |
Molceule ID (DB) | EGIN0002943 |
Inhibitor Class | Dianilino-phthalimide |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | 5,6-bis(phenylsulfanyl)-2,3-dihydro-1H-isoindole-1,3-dione |
Formula | C20H13NO2S2 |
Mass | 363.453 |
Exact Mass | 363.03877 |
Composition | C (66.09%), H (3.61%), N (3.85%), O (8.8%), S (17.64%) |
Atom Count | 38 |
PI | No isoelectric point. |
Smiles | N1C(=O)c2c(C1=O)cc(c(c2)Sc1ccccc1)Sc1ccccc1 |
InChI | 1S/C20H13NO2S2/c22-19-15-11-17(24-13-7-3-1-4-8-13)18(12-16(15)20(23)21-19)25-14-9-5-2-6-10-14/h1-12H
,(H,21,22,23) |
InChIKey | HEUOZLPVHVQHOK-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 | 8151612 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | EGFR | RKC | PKA | ALL |
Pub Chem Link |
10248155
|
Drug Bank Link | - |
ChemSpider Link | 8423642 |
ChEMBL Link | CHEMBL8271 |