General Property |
Molceule ID (DB) | EGIN0002941 |
Inhibitor Class | Dianilino-phthalimide |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | 2-methyl-5,6-bis(phenylamino)-2,3-dihydro-1H-isoindole-1,3-dione |
Formula | C21H17N3O2 |
Mass | 343.3786 |
Exact Mass | 343.1320768 |
Composition | C (73.45%), H (4.99%), N (12.24%), O (9.32%) |
Atom Count | 43 |
PI | 8.14 |
Smiles | c1cccc(c1)Nc1c(cc2c(c1)C(=O)N(C2=O)C)Nc1ccccc1 |
InChI | 1S/C21H17N3O2/c1-24-20(25)16-12-18(22-14-8-4-2-5-9-14)19(13-17(16)21(24)26)23-15-10-6-3-7-11-15/h2-1
3,22-23H,1H3 |
InChIKey | TVXMUKJNBYIOBU-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | RKC | EGFR | PKA | ALL |
Pub Chem Link |
10246831
|
Drug Bank Link | - |
ChemSpider Link | 8422318 |
ChEMBL Link | CHEMBL8036 |