+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AQD | ||
---|---|---|---|
Name | Name: Synonyms: N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide Comment | antipsychotic*YM | |
-Chemical information
Composition | Formula: C21H26ClN3O2 / Number of atoms: 53 / Formula weight: 387.903 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AQD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5WIV | ||||||
History |
| ||||||
External links | UniChem / ChemSpider / BindingDB / ChEBI / GtoPharmacology / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | |
---|