General Property |
Molceule ID (DB) | EGIN0004904 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 41 |
IUPAC Name | 6-[(1H-indol-2-yl)carbonyl]-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine |
Formula | C22H13F3N4OS |
Mass | 438.425 |
Exact Mass | 438.0762164 |
Composition | C (60.27%), H (2.99%), F (13%), N (12.78%), O (3.65%), S (7.31%) |
Atom Count | 44 |
PI | 7.36 |
Smiles | FC(F)(F)c1cccc(Nc2c3cc(sc3ncn2)C(=O)c2cc3ccccc3[nH]2)c1 |
InChI | 1S/C22H13F3N4OS/c23-22(24,25)13-5-3-6-14(9-13)28-20-15-10-18(31-21(15)27-11-26-20)19(30)17-8-12-4-1-
2-7-16(12)29-17/h1-11,29H,(H,26,27,28) |
InChIKey | GLGHZCWUFGPMDK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004904.png) | Structure Backbone | ![](./frame/f_EGIN0004904.png) |
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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 |
57395352
|
Drug Bank Link | - |
ChemSpider Link | 28429413 |
ChEMBL Link | CHEMBL1928308 |