| General Property |
| Molceule ID (DB) | EGIN0005007 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 5g |
| IUPAC Name | 6,8-dimethoxy-2-[3-(piperidine-1-carbonyl)phenyl]isoquinolin-1-one |
| Formula | C23H24N2O4 |
| Mass | 392.4477 |
| Exact Mass | 392.173607266 |
| Composition | C (70.39%), H (6.16%), N (7.14%), O (16.31%) |
| Atom Count | 53 |
| PI | - |
| Smiles | [H]C1=C([H])C(=C([H])C(=C1[H])N1C([H])=C([H])C2=C(C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C2[H])C1=O)C(=O)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H] |
| InChI | 1S/C23H24N2O4/c1-28-19-14-16-9-12-25(23(27)21(16)20(15-19)29-2)18-8-6-7-17(13-18)22(26)24-10-4-3-5-1
1-24/h6-9,12-15H,3-5,10-11H2,1-2H3 |
| InChIKey | JAGUKLMIBWSNES-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 | 24094432 |
| 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 |
72697580
|
| Drug Bank Link | - |
| ChemSpider Link | 28645614 |
| ChEMBL Link | CHEMBL2148046 |
