| General Property |
| Molceule ID (DB) | EGIN0000350 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3p compound |
| IUPAC Name | N-(3H-indazol-6-yl)-13,14-dimethoxy-5-methyl-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C21H20N6O2S |
| Mass | 420.488 |
| Exact Mass | 420.1368446 |
| Composition | C (59.98%), H (4.79%), N (19.99%), O (7.61%), S (7.63%) |
| Atom Count | 50 |
| PI | 8.76 |
| Smiles | c12c(nc(nc1Nc1cc3c(cc1)CN=N3)C)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C21H20N6O2S/c1-11-24-20(26-14-5-4-12-10-23-27-15(12)7-14)19-21(25-11)30-18-8-17(29-3)16(28-2)6-13
(18)9-22-19/h4-8,22H,9-10H2,1-3H3,(H,24,25,26) |
| InChIKey | PHJXJIVBKDWKSF-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 | 16887347 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23275908 |
| ChEMBL Link | CHEMBL213371 |
