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Yorodumi- ChemComp-X9T: (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)o... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X9T |
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Name | Name: ( |
-Chemical information
Composition | Formula: C22H20ClN5O3 / Number of atoms: 51 / Formula weight: 437.879 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: X9T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8F1C | ||||
History |
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External links | UniChem / 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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-8f1c:
Voltage-gated potassium channel Kv3.1 with novel positive modulator (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one (compound 4)