General Property |
Molceule ID (DB) | EGIN0004896 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 33 |
IUPAC Name | N-(4-chlorophenyl)-6-[(1H-indol-2-yl)carbonyl]thieno[2,3-d]pyrimidin-4-amine |
Formula | C21H13ClN4OS |
Mass | 404.872 |
Exact Mass | 404.0498595 |
Composition | C (62.3%), H (3.24%), Cl (8.76%), N (13.84%), O (3.95%), S (7.92%) |
Atom Count | 41 |
PI | 7.36 |
Smiles | Clc1ccc(Nc2c3cc(sc3ncn2)C(=O)c2cc3ccccc3[nH]2)cc1 |
InChI | 1S/C21H13ClN4OS/c22-13-5-7-14(8-6-13)25-20-15-10-18(28-21(15)24-11-23-20)19(27)17-9-12-3-1-2-4-16(12
)26-17/h1-11,26H,(H,23,24,25) |
InChIKey | FMRFUIUHERADSV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004896.png) | Structure Backbone | ![](./frame/f_EGIN0004896.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 |
57397174
|
Drug Bank Link | - |
ChemSpider Link | 28491633 |
ChEMBL Link | CHEMBL1928289 |