| General Property |
| Molceule ID (DB) | EGIN0003032 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 28c compound |
| IUPAC Name | (5Z)-4-[(1-benzyl-1H-indazol-5-yl)amino]-5-({3-methyl-5-[(morpholin-4-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one |
| Formula | C31H28N8O3 |
| Mass | 560.6058 |
| Exact Mass | 560.2284368 |
| Composition | C (66.42%), H (5.03%), N (19.99%), O (8.56%) |
| Atom Count | 70 |
| PI | 6.46 |
| Smiles | C1(=C/c2[nH]c(C(=O)N3CCOCC3)cc2C)/c2c(NC1=O)ncnc2Nc1cc2c(n(nc2)Cc2ccccc2)cc1 |
| InChI | 1S/C31H28N8O3/c1-19-13-25(31(41)38-9-11-42-12-10-38)36-24(19)15-23-27-28(32-18-33-29(27)37-30(23)40)
35-22-7-8-26-21(14-22)16-34-39(26)17-20-5-3-2-4-6-20/h2-8,13-16,18,36H,9-12,17H2,1H3,(H2,32,33,35,37
,40)/b23-15- |
| InChIKey | MDCWIVYFXQKDOP-HAHDFKILSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 12127526 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR | EGFR | VEGFR2/Flk-1/KDR | ALL |
| Pub Chem Link |
5329251
|
| Drug Bank Link | - |
| ChemSpider Link | 4486402 |
| ChEMBL Link | CHEMBL67003 |
