General Property |
Molceule ID (DB) | EGIN0002934 |
Inhibitor Class | Dianilino-phthalimide |
Molecule Name in Refrence Article | 11 compound |
IUPAC Name | 5,6-bis[(4-phenylphenyl)amino]-2,3-dihydro-1H-isoindole-1,3-dione |
Formula | C32H23N3O2 |
Mass | 481.5439 |
Exact Mass | 481.179027 |
Composition | C (79.81%), H (4.81%), N (8.73%), O (6.65%) |
Atom Count | 60 |
PI | 3.75 |
Smiles | N1C(=O)c2c(C1=O)cc(c(c2)Nc1ccc(c2ccccc2)cc1)Nc1ccc(c2ccccc2)cc1 |
InChI | 1S/C32H23N3O2/c36-31-27-19-29(33-25-15-11-23(12-16-25)21-7-3-1-4-8-21)30(20-28(27)32(37)35-31)34-26-
17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20,33-34H,(H,35,36,37) |
InChIKey | AVGVNDBIYKJMCJ-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 | EGFR | PKA | RKC | ALL |
Pub Chem Link |
10345125
|
Drug Bank Link | - |
ChemSpider Link | 8520583 |
ChEMBL Link | CHEMBL7929 |