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Yorodumi- ChemComp-C8W: 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: C8W |
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Name | Name: |
-Chemical information
Composition | Formula: C20H19N5O5S / Number of atoms: 50 / Formula weight: 441.46 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C8W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6F1N | ||||
History |
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External links | UniChem / PubChem / PubChem_TPharma / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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-6f1n:
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation