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 | ![](./image/EGIN0004887.png) | Structure Backbone | ![](./frame/f_EGIN0004887.png) |
|
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 |