| General Property |
| Molceule ID (DB) | EGIN0004887 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 24 |
| IUPAC Name | N-(3-ethynylphenyl)-6-[(1H-indol-2-yl)carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C23H15N5O |
| Mass | 377.3981 |
| Exact Mass | 377.1276601 |
| Composition | C (73.2%), H (4.01%), N (18.56%), O (4.24%) |
| Atom Count | 44 |
| PI | 7.91 |
| Smiles | O=C(c1cc2ccccc2[nH]1)c1cc2c(Nc3cc(ccc3)C#C)ncnc2[nH]1 |
| InChI | 1S/C23H15N5O/c1-2-14-6-5-8-16(10-14)26-22-17-12-20(28-23(17)25-13-24-22)21(29)19-11-15-7-3-4-9-18(15
)27-19/h1,3-13,27H,(H2,24,25,26,28) |
| InChIKey | CGISEMWDKJPLDM-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 |
57391900
|
| Drug Bank Link | - |
| ChemSpider Link | 28431072 |
| ChEMBL Link | CHEMBL1928292 |
