| General Property |
| Molceule ID (DB) | EGIN0003031 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 28b compound |
| IUPAC Name | (5Z)-4-[(1-benzyl-1H-indol-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 | C32H29N7O3 |
| Mass | 559.6178 |
| Exact Mass | 559.2331878 |
| Composition | C (68.68%), H (5.22%), N (17.52%), O (8.58%) |
| Atom Count | 71 |
| PI | 6.46 |
| Smiles | C1(=Cc2[nH]c(C(=O)N3CCOCC3)cc2C)/c2c(NC1=O)ncnc2Nc1cc2c(n(cc2)Cc2ccccc2)cc1 |
| InChI | 1S/C32H29N7O3/c1-20-15-26(32(41)38-11-13-42-14-12-38)36-25(20)17-24-28-29(33-19-34-30(28)37-31(24)40
)35-23-7-8-27-22(16-23)9-10-39(27)18-21-5-3-2-4-6-21/h2-10,15-17,19,36H,11-14,18H2,1H3,(H2,33,34,35,
37,40)/b24-17- |
| InChIKey | CBRVEUABHHKTIL-ULJHMMPZSA-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 | VEGFR2/Flk-1/KDR | EGFR | ALL |
| Pub Chem Link |
5329250
|
| Drug Bank Link | - |
| ChemSpider Link | 4486401 |
| ChEMBL Link | CHEMBL67057 |
