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Yorodumi- ChemComp-4A0: 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)met... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4A0 |
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Name | Name: |
-Chemical information
Composition | Formula: C19H27NO / Number of atoms: 48 / Formula weight: 285.424 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4A0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4Y2X | ||||
History |
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External links | UniChem / Nikkaji / ChemSpider / 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-4y2x:
Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol