| General Property |
| Molceule ID (DB) | EGIN0001005 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 39 compound |
| IUPAC Name | N-(3-methoxyphenyl)-5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-amine |
| Formula | C17H18N4O |
| Mass | 294.351 |
| Exact Mass | 294.1480612 |
| Composition | C (69.37%), H (6.16%), N (19.03%), O (5.44%) |
| Atom Count | 40 |
| PI | 10.29 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)OC)c1c([nH]2)CCCC1 |
| InChI | 1S/C17H18N4O/c1-22-12-6-4-5-11(9-12)20-16-15-13-7-2-3-8-14(13)21-17(15)19-10-18-16/h4-6,9-10H,2-3,7-
8H2,1H3,(H2,18,19,20,21) |
| InChIKey | QBWMZVFWLZJROU-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 | 8691423 |
| 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 |
10589889
|
| Drug Bank Link | - |
| ChemSpider Link | 8765264 |
| ChEMBL Link | CHEMBL431191 |
