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Yorodumi- ChemComp-AQE: 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AQE |
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Name | Name: |
-Chemical information
Composition | Formula: C19H23N5S / Number of atoms: 48 / Formula weight: 353.484 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AQE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OTE | ||||
History |
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External links | UniChem / ChemSpider / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-5ote:
MRCK beta in complex with BDP-00008900