General Property |
Molceule ID (DB) | EGIN0001131 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 36 compound |
IUPAC Name | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine |
Formula | C18H21N3O2S |
Mass | 343.443 |
Exact Mass | 343.1354476 |
Composition | C (62.95%), H (6.16%), N (12.23%), O (9.32%), S (9.34%) |
Atom Count | 45 |
PI | 11.73 |
Smiles | c1c2c(sc1CC)ncnc2NCCc1ccc(c(c1)OC)OC |
InChI | 1S/C18H21N3O2S/c1-4-13-10-14-17(20-11-21-18(14)24-13)19-8-7-12-5-6-15(22-2)16(9-12)23-3/h5-6,9-11H,4
,7-8H2,1-3H3,(H,19,20,21) |
InChIKey | XHPRTHXFHYNSNH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001131.png) | Structure Backbone | ![](./frame/f_EGIN0001131.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 | 18500794 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
790826
|
Drug Bank Link | - |
ChemSpider Link | 691583 |
ChEMBL Link | CHEMBL444428 |