| General Property |
| Molceule ID (DB) | EGIN0003022 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26m compound |
| IUPAC Name | (5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-({4-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one |
| Formula | C24H23ClFN7O2 |
| Mass | 495.937 |
| Exact Mass | 495.1585789 |
| Composition | C (58.12%), H (4.67%), Cl (7.15%), F (3.83%), N (19.77%), O (6.45%) |
| Atom Count | 58 |
| PI | 8.35 |
| Smiles | C1(=Cc2[nH]c(C(=O)N3CCN(CC3)C)c(c2)C)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C24H23ClFN7O2/c1-13-9-15(29-20(13)24(35)33-7-5-32(2)6-8-33)10-16-19-21(27-12-28-22(19)31-23(16)34
)30-14-3-4-18(26)17(25)11-14/h3-4,9-12,29H,5-8H2,1-2H3,(H2,27,28,30,31,34)/b16-10- |
| InChIKey | FHYFHSYZOSQOFM-YBEGLDIGSA-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 |
5329241
|
| Drug Bank Link | - |
| ChemSpider Link | 4486392 |
| ChEMBL Link | CHEMBL69964 |
