| General Property |
| Molceule ID (DB) | EGIN0002481 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 7b compound |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine |
| Formula | C18H19N3OS |
| Mass | 325.428 |
| Exact Mass | 325.1248829 |
| Composition | C (66.43%), H (5.88%), N (12.91%), O (4.92%), S (9.85%) |
| Atom Count | 42 |
| PI | 10.78 |
| Smiles | c1(c2c(ncn1)sc1c2CCCC1)NCc1ccc(cc1)OC |
| InChI | 1S/C18H19N3OS/c1-22-13-8-6-12(7-9-13)10-19-17-16-14-4-2-3-5-15(14)23-18(16)21-11-20-17/h6-9,11H,2-5,
10H2,1H3,(H,19,20,21) |
| InChIKey | VASYPHMWQOKRKS-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 20961149 |
| 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 |
9282029
|
| Drug Bank Link | - |
| ChemSpider Link | 7569919 |
| ChEMBL Link | CHEMBL1271948 |
