| General Property |
| Molceule ID (DB) | EGIN0004886 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 23 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[(1H-indol-2-yl)carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C21H13ClFN5O |
| Mass | 405.812 |
| Exact Mass | 405.079266 |
| Composition | C (62.15%), H (3.23%), Cl (8.74%), F (4.68%), N (17.26%), O (3.94%) |
| Atom Count | 42 |
| PI | 7.91 |
| Smiles | Fc1c(Cl)cc(Nc2c3cc([nH]c3ncn2)C(=O)c2cc3ccccc3[nH]2)cc1 |
| InChI | 1S/C21H13ClFN5O/c22-14-8-12(5-6-15(14)23)26-20-13-9-18(28-21(13)25-10-24-20)19(29)17-7-11-3-1-2-4-16
(11)27-17/h1-10,27H,(H2,24,25,26,28) |
| InChIKey | WHJOZRMJWLTPQY-UHFFFAOYSA-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 | 22169601 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | |
| Pub Chem Link |
57402377
|
| Drug Bank Link | - |
| ChemSpider Link | 28491634 |
| ChEMBL Link | CHEMBL1928290 |
