General Property |
Molceule ID (DB) | EGIN0003433 |
Inhibitor Class | Indolylmaleimide |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | 3-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
Formula | C21H18N2O5 |
Mass | 378.378 |
Exact Mass | 378.1215717 |
Composition | C (66.66%), H (4.79%), N (7.4%), O (21.14%) |
Atom Count | 46 |
PI | 2.69 |
Smiles | c1ccc2c(c1)c(c[nH]2)C1=C(C(=O)NC1=O)c1cc(c(c(c1)OC)OC)OC |
InChI | 1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)1
4/h4-10,22H,1-3H3,(H,23,24,25) |
InChIKey | CZGMEOAMQWAJOY-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003433.png) | Structure Backbone | ![](./frame/f_EGIN0003433.png) |
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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 | 17149885 | 18529047 | 20031417 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
11530963
|
Drug Bank Link | - |
ChemSpider Link | 9705746 |
ChEMBL Link | CHEMBL201511 |