[English] 日本語
Yorodumi- ChemComp-71Q: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)pip... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 71Q |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C18H17ClF3N3O3 / Number of atoms: 45 / Formula weight: 415.794 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 71Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SYM | ||||
History |
| ||||
External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | 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
ACDLabs 12.01 | OpenEye OEToolkits 2.0.5 | ~{ | |
---|
-PDB entries
Showing all 1 items
PDB-5sym:
Cocrystal structure of the human acyl protein thioesterase 1 with an isoform-selective inhibitor, ML348