| General Property |
| Molceule ID (DB) | EGIN0005003 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 5c |
| IUPAC Name | 2-(3-chloro-4-fluorophenyl)-6,8-dimethoxyisoquinolin-1-one |
| Formula | C17H13ClFNO3 |
| Mass | 333.741 |
| Exact Mass | 333.056799199 |
| Composition | C (61.18%), H (3.93%), Cl (10.62%), F (5.69%), N (4.2%), O (14.38%) |
| Atom Count | 36 |
| PI | - |
| Smiles | COC1=CC(=C2C(=C1)C=CN(C2=O)C3=CC(=C(C=C3)F)Cl)OC |
| InChI | 1S/C17H13ClFNO3/c1-22-12-7-10-5-6-20(11-3-4-14(19)13(18)8-11)17(21)16(10)15(9-12)23-2/h3-9H,1-2H3 |
| InChIKey | JPIQUKAEWPKLLC-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 |
72697576
|
| Drug Bank Link | - |
| ChemSpider Link | 28647984 |
| ChEMBL Link | CHEMBL2148045 |
