General Property |
Molceule ID (DB) | EGIN0001799 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | N-{6-benzoylthieno[3,2-d]pyrimidin-4-yl}-1H-indol-5-amine |
Formula | C21H14N4OS |
Mass | 370.427 |
Exact Mass | 370.0888318 |
Composition | C (68.09%), H (3.81%), N (15.12%), O (4.32%), S (8.66%) |
Atom Count | 41 |
PI | 8.13 |
Smiles | c1(sc2c(ncnc2c1)Nc1cc2c([nH]cc2)cc1)C(=O)c1ccccc1 |
InChI | 1S/C21H14N4OS/c26-19(13-4-2-1-3-5-13)18-11-17-20(27-18)21(24-12-23-17)25-15-6-7-16-14(10-15)8-9-22-1
6/h1-12,22H,(H,23,24,25) |
InChIKey | UVCZDNANYMDIHR-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 | 14684289 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR | |
Pub Chem Link |
18383038
|
Drug Bank Link | - |
ChemSpider Link | 13367648 |
ChEMBL Link | CHEMBL81712 |