General Property |
Molceule ID (DB) | EGIN0002935 |
Inhibitor Class | Dianilino-phthalimide |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 5-[(4-methoxyphenyl)amino]-6-(phenylamino)-2,3-dihydro-1H-isoindole-1,3-dione |
Formula | C21H17N3O3 |
Mass | 359.378 |
Exact Mass | 359.1269914 |
Composition | C (70.18%), H (4.77%), N (11.69%), O (13.36%) |
Atom Count | 44 |
PI | 4.21 |
Smiles | N1C(=O)c2c(C1=O)cc(c(c2)Nc1ccccc1)Nc1ccc(cc1)OC |
InChI | 1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h
2-12,22-23H,1H3,(H,24,25,26) |
InChIKey | LESFPZSUPOHBIP-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 | EGFR | PKA | RKC | v-ab1 | ALL |
Pub Chem Link |
10043994
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Drug Bank Link | - |
ChemSpider Link | 8219558 |
ChEMBL Link | CHEMBL8095 |