| General Property |
| Molceule ID (DB) | EGIN0001130 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 35 compound |
| IUPAC Name | N-[4-(4-methylpiperazin-1-yl)phenyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-amine |
| Formula | C21H25N5S |
| Mass | 379.522 |
| Exact Mass | 379.1830665 |
| Composition | C (66.46%), H (6.64%), N (18.45%), S (8.45%) |
| Atom Count | 52 |
| PI | 12.43 |
| Smiles | c12c3c(sc1CCCC2)ncnc3Nc1ccc(cc1)N1CCN(CC1)C |
| InChI | 1S/C21H25N5S/c1-25-10-12-26(13-11-25)16-8-6-15(7-9-16)24-20-19-17-4-2-3-5-18(17)27-21(19)23-14-22-20
/h6-9,14H,2-5,10-13H2,1H3,(H,22,23,24) |
| InChIKey | UHAXHMRFSJQMPN-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 | 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 |
1069156
|
| Drug Bank Link | - |
| ChemSpider Link | 912090 |
| ChEMBL Link | CHEMBL486089 |
