General Property |
Molceule ID (DB) | EGIN0002364 |
Inhibitor Class | Indolizine |
Molecule Name in Refrence Article | 5d compound |
IUPAC Name | 4-(1-cyclopropylethenyl)-2-phenyl-1H,2H,3H-pyrrolo[3,4-a]indolizine-1,3-dione |
Formula | C21H16N2O2 |
Mass | 328.3639 |
Exact Mass | 328.1211778 |
Composition | C (76.81%), H (4.91%), N (8.53%), O (9.74%) |
Atom Count | 41 |
PI | No isoelectric point. |
Smiles | c1cccn2c1c1c(c2C(=C)C2CC2)c(=O)n(c1=O)c1ccccc1 |
InChI | InChI=1S/C21H16N2O2/c1-13(14-10-11-14)19-18-17(16-9-5-6-12-22(16)19)20(24)23(21(18)25)15-7-3-2-4-8-1
5/h2-9,12,14H,1,10-11H2 |
InChIKey | InChIKey=MVQIOBLBMCBYAE-UHFFFAOYSA-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 | 20304535 |
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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |