| General Property |
| Molceule ID (DB) | EGIN0000338 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3d compound |
| IUPAC Name | N-(3H-indazol-6-yl)-13,14-dimethoxy-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C20H18N6O2S |
| Mass | 406.461 |
| Exact Mass | 406.1211945 |
| Composition | C (59.1%), H (4.46%), N (20.68%), O (7.87%), S (7.89%) |
| Atom Count | 47 |
| PI | 8.3 |
| Smiles | c12c(ncnc1Nc1cc3c(cc1)CN=N3)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C20H18N6O2S/c1-27-15-5-12-8-21-18-19(25-13-4-3-11-9-24-26-14(11)6-13)22-10-23-20(18)29-17(12)7-16
(15)28-2/h3-7,10,21H,8-9H2,1-2H3,(H,22,23,25) |
| InChIKey | XCNOXNHLEZRWNV-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 | 23275727 |
| ChEMBL Link | CHEMBL385425 |
