| General Property |
| Molceule ID (DB) | EGIN0002506 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | (2E)-4-(dimethylamino)-1-{3-[(2-hydroxyethyl)amino]-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-11-yl}but-2-en-1-one |
| Formula | C17H23N5O2S |
| Mass | 361.462 |
| Exact Mass | 361.1572457 |
| Composition | C (56.49%), H (6.41%), N (19.38%), O (8.85%), S (8.87%) |
| Atom Count | 48 |
| PI | 12.19 |
| Smiles | n1cnc(NCCO)c2c1sc1c2CCN(C1)C(=O)/C=C/CN(C)C |
| InChI | 1S/C17H23N5O2S/c1-21(2)7-3-4-14(24)22-8-5-12-13(10-22)25-17-15(12)16(18-6-9-23)19-11-20-17/h3-4,11,2
3H,5-10H2,1-2H3,(H,18,19,20)/b4-3+ |
| InChIKey | CPXGBODDCLRAEF-ONEGZZNKSA-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 |
49788493
|
| Drug Bank Link | - |
| ChemSpider Link | 26363705 |
| ChEMBL Link | CHEMBL1271619 |
