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Yorodumi- ChemComp-92T: 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cycl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 92T |
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Name | Name: |
-Chemical information
Composition | Formula: C24H17ClN8O / Number of atoms: 51 / Formula weight: 468.898 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 92T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NOB | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / 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-5nob:
Crystal structure of human tankyrase 2 in complex with OD336