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Yorodumi- ChemComp-7RU: 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohe... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7RU | ||
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Name | Name: Synonyms: Cariprazine Comment | antipsychotic, agonist*YM | |
-Chemical information
Composition | Formula: C21H32Cl2N4O / Number of atoms: 60 / Formula weight: 427.411 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 7RU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7VOD | ||||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / DailyMed / DrugBank / GtoPharmacology / Nikkaji / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7vod:
Crystal structure of 5-HT2AR in complex with cariprazine