| General Property |
| Molceule ID (DB) | EGIN0003015 |
| Inhibitor Class | Pyrrolo-pyrimidinone |
| Molecule Name in Refrence Article | 26f compound |
| IUPAC Name | 5-{[(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-4-methyl-1H-pyrrole-2-carboxylic acid |
| Formula | C19H13ClFN5O3 |
| Mass | 413.79 |
| Exact Mass | 413.0690952 |
| Composition | C (55.15%), H (3.17%), Cl (8.57%), F (4.59%), N (16.92%), O (11.6%) |
| Atom Count | 42 |
| PI | 3.3 |
| Smiles | C1(=Cc2[nH]c(cc2C)C(=O)O)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C19H13ClFN5O3/c1-8-4-14(19(28)29)25-13(8)6-10-15-16(22-7-23-17(15)26-18(10)27)24-9-2-3-12(21)11(2
0)5-9/h2-7,25H,1H3,(H,28,29)(H2,22,23,24,26,27)/b10-6- |
| InChIKey | QQRLVNGJKMMEMW-POHAHGRESA-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 |
5329234
|
| Drug Bank Link | - |
| ChemSpider Link | 4486385 |
| ChEMBL Link | CHEMBL305194 |
