| General Property |
| Molceule ID (DB) | EGIN0003854 |
| Inhibitor Class | Benzo-thieno-pyrimidine |
| Molecule Name in Refrence Article | 59 compound |
| IUPAC Name | 6-N-(3-methylphenyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-6,12-diamine |
| Formula | C17H14N4S |
| Mass | 306.385 |
| Exact Mass | 306.0939172 |
| Composition | C (66.64%), H (4.61%), N (18.29%), S (10.47%) |
| Atom Count | 36 |
| PI | 9.3 |
| Smiles | c12sc3c(c1ncnc2Nc1cc(ccc1)C)cc(N)cc3 |
| InChI | 1S/C17H14N4S/c1-10-3-2-4-12(7-10)21-17-16-15(19-9-20-17)13-8-11(18)5-6-14(13)22-16/h2-9H,18H2,1H3,(H
,19,20,21) |
| InChIKey | OIFDROVQDZHYPF-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 | 10639288 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | IR | PDGFr | FGFr | PKC | c-Src | ALL |
| Pub Chem Link |
5328407
|
| Drug Bank Link | - |
| ChemSpider Link | 4485572 |
| ChEMBL Link | CHEMBL155278 |
