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 | |
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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 | 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 |