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Yorodumi- ChemComp-5HV: N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5HV | ||
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Name | Name: Synonyms: Darapladib Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C36H38F4N4O2S / Number of atoms: 85 / Formula weight: 666.771 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5HV / Ideal coordinates details: Corina | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-5i9i:
Crystal structure of LP_PLA2 in complex with Darapladib