General Property |
Molceule ID (DB) | EGIN0001795 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 17 compound |
IUPAC Name | 2-methyl-N-{6-phenylthieno[3,2-d]pyrimidin-4-yl}-1H-indol-5-amine |
Formula | C21H16N4S |
Mass | 356.444 |
Exact Mass | 356.1095672 |
Composition | C (70.76%), H (4.52%), N (15.72%), S (9%) |
Atom Count | 42 |
PI | 8.51 |
Smiles | c12sc(cc2ncnc1Nc1cc2cc([nH]c2cc1)C)c1ccccc1 |
InChI | 1S/C21H16N4S/c1-13-9-15-10-16(7-8-17(15)24-13)25-21-20-18(22-12-23-21)11-19(26-20)14-5-3-2-4-6-14/h2
-12,24H,1H3,(H,22,23,25) |
InChIKey | BHQDAUJABYYOCH-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 14684289 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR | |
Pub Chem Link |
18382784
|
Drug Bank Link | - |
ChemSpider Link | 13367385 |
ChEMBL Link | CHEMBL80302 |