[English] 日本語
Yorodumi- ChemComp-6XF: ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 6XF |
---|---|
Name | Name: ~{ |
-Chemical information
Composition | Formula: C21H22N4O5 / Number of atoms: 52 / Formula weight: 410.423 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6XF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5LI6 | ||||
History |
| ||||
External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.5 | ~{ |
---|
-PDB entries
Showing all 1 items
PDB-5li6:
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide