| General Property |
| Molceule ID (DB) | EGIN0005012 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 6c |
| IUPAC Name | 8-hydroxy-6-methoxy-2-[3-(piperidine-1-carbonyl)phenyl]isoquinolin-1-one |
| Formula | C22H22N2O4 |
| Mass | 378.4211 |
| Exact Mass | 378.157957202 |
| Composition | C (69.83%), H (5.86%), N (7.4%), O (16.91%) |
| Atom Count | 50 |
| PI | 3.77 |
| Smiles | COC1=CC(=C2C(=C1)C=CN(C2=O)C3=CC=CC(=C3)C(=O)N4CCCCC4)O |
| InChI | 1S/C22H22N2O4/c1-28-18-13-15-8-11-24(22(27)20(15)19(25)14-18)17-7-5-6-16(12-17)21(26)23-9-3-2-4-10-2
3/h5-8,11-14,25H,2-4,9-10H2,1H3 |
| InChIKey | CVUCKZLRRVRQKD-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 |
72697722
|
| Drug Bank Link | - |
| ChemSpider Link | 9795656 |
| ChEMBL Link | CHEMBL1614725 |
