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Yorodumi- ChemComp-JNU: (4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JNU |
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Name | Name: ( |
-Chemical information
Composition | Formula: C17H20F3N7 / Number of atoms: 47 / Formula weight: 379.383 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: JNU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SIB | ||||
History |
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External links | UniChem / BindingDB / PubChem / SureChEMBL / 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 1.03 |
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-InChIKey
InChI 1.03 |
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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-5sib:
Crystal Structure of human phosphodiesterase 10 in complex with 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine