General Property |
Molceule ID (DB) | EGIN0002928 |
Inhibitor Class | Dianilino-phthalimide |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | 5,6-bis[(4-methylphenyl)amino]-2,3-dihydro-1H-isoindole-1,3-dione |
Formula | C22H19N3O2 |
Mass | 357.4052 |
Exact Mass | 357.1477269 |
Composition | C (73.93%), H (5.36%), N (11.76%), O (8.95%) |
Atom Count | 46 |
PI | 4.05 |
Smiles | N1C(=O)c2c(C1=O)cc(c(c2)Nc1ccc(cc1)C)Nc1ccc(cc1)C |
InChI | 1S/C22H19N3O2/c1-13-3-7-15(8-4-13)23-19-11-17-18(22(27)25-21(17)26)12-20(19)24-16-9-5-14(2)6-10-16/h
3-12,23-24H,1-2H3,(H,25,26,27) |
InChIKey | KSZXNFIEZNOXCC-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 | c-Src | RKC | v-ab1 | PKA | EGFR | ALL |
Pub Chem Link |
10360970
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Drug Bank Link | - |
ChemSpider Link | 8536419 |
ChEMBL Link | CHEMBL7914 |