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 | ![](./image/EGIN0005010.png) | Structure Backbone | ![](./frame/f_EGIN0005010.png) |
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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
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Drug Bank Link | - |
ChemSpider Link | 28648794 |
ChEMBL Link | CHEMBL2148047 |