General Property |
Molceule ID (DB) | EGIN0001791 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 13 compound |
IUPAC Name | 1-N,1-N-dimethyl-4-N-{6-phenylthieno[3,2-d]pyrimidin-4-yl}benzene-1,4-diamine |
Formula | C20H18N4S |
Mass | 346.449 |
Exact Mass | 346.1252173 |
Composition | C (69.34%), H (5.24%), N (16.17%), S (9.26%) |
Atom Count | 43 |
PI | 11 |
Smiles | c12sc(cc2ncnc1Nc1ccc(N(C)C)cc1)c1ccccc1 |
InChI | 1S/C20H18N4S/c1-24(2)16-10-8-15(9-11-16)23-20-19-17(21-13-22-20)12-18(25-19)14-6-4-3-5-7-14/h3-13H,1
-2H3,(H,21,22,23) |
InChIKey | ASLAQNLSYGJKNM-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 |
18383095
|
Drug Bank Link | - |
ChemSpider Link | 13367707 |
ChEMBL Link | CHEMBL306732 |