| General Property |
| Molceule ID (DB) | EGIN0001275 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | DICENTRINE |
| IUPAC Name | (12S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1(20),2(6),7,14,16,18-hexaene |
| Formula | C20H21NO4 |
| Mass | 339.385 |
| Exact Mass | 339.1470582 |
| Composition | C (70.78%), H (6.24%), N (4.13%), O (18.86%) |
| Atom Count | 46 |
| PI | No isoelectric point |
| Smiles | CN1CCc2cc3c(c4c2[C@@H]1Cc1cc(c(cc41)OC)OC)OCO3 |
| InChI | 1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,
14H,4-6,10H2,1-3H3/t14-/m0/s1 |
| InChIKey | YJWBWQWUHVXPNC-AWEZNQCLSA-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 | 20005213 |
| 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 |
101300
|
| Drug Bank Link | - |
| ChemSpider Link | 91532 |
| ChEMBL Link | CHEMBL464748 |
