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Yorodumi- ChemComp-WLH: 2-(4-METHYLPIPERAZIN-1-YL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-4-ONE -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: WLH |
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Name | Name: |
-Chemical information
Composition | Formula: C13H20N4O / Number of atoms: 38 / Formula weight: 248.324 / Formal charge: 0 | ||||
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Others | Type: non-polymer / Three letter code: WLH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AL4 | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / CompTox / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 1.7.6 |
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-PDB entries
Showing all 1 items
PDB-5al4:
Crystal structure of TNKS2 in complex with 2-(4-methylpiperazin-1-yl)- 3,4,5,6,7,8-hexahydroquinazolin-4-one