General Property |
Molceule ID (DB) | EGIN0005002 |
Inhibitor Class | Iso-quinoline |
Molecule Name in Refrence Article | 5b |
IUPAC Name | - |
Formula | C19H15NO3 |
Mass | 305.3273 |
Exact Mass | 305.105193351 |
Composition | C (74.74%), H (4.95%), N (4.59%), O (15.72%) |
Atom Count | 38 |
PI | - |
Smiles | [H]C#CC1=C([H])C(=C([H])C([H])=C1[H])N1C([H])=C([H])C2=C(C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C2[H])C1=O |
InChI | 1S/C19H15NO3/c1-4-13-6-5-7-15(10-13)20-9-8-14-11-16(22-2)12-17(23-3)18(14)19(20)21/h1,5-12H,2-3H3 |
InChIKey | MGROHPNMUUDFSY-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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 28647184 |
ChEMBL Link | CHEMBL2148044 |