[English] 日本語
Yorodumi- ChemComp-5T6: (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5T6 |
---|---|
Name | Name: ( |
-Chemical information
Composition | Formula: C22H18ClF2N3O2 / Number of atoms: 48 / Formula weight: 429.847 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5T6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EZZ | ||||
History |
| ||||
External links | UniChem / ChemSpider / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.4 | ( |
---|
-PDB entries
Showing all 1 items
PDB-5ezz:
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine