| General Property |
| Molceule ID (DB) | EGIN0005010 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 6a |
| IUPAC Name | 2-(3-ethynylphenyl)-8-hydroxy-6-methoxyisoquinolin-1-one |
| Formula | C18H13NO3 |
| Mass | 291.3007 |
| Exact Mass | 291.089543287 |
| Composition | C (74.22%), H (4.5%), N (4.81%), O (16.48%) |
| Atom Count | 35 |
| PI | 2.05 |
| Smiles | COC1=CC(=C2C(=C1)C=CN(C2=O)C3=CC=CC(=C3)C#C)O |
| InChI | 1S/C18H13NO3/c1-3-12-5-4-6-14(9-12)19-8-7-13-10-15(22-2)11-16(20)17(13)18(19)21/h1,4-11,20H,2H3 |
| InChIKey | OATWWGGTLXORJR-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 |
72697720
|
| Drug Bank Link | - |
| ChemSpider Link | 28648794 |
| ChEMBL Link | CHEMBL2148047 |
