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Yorodumi- ChemComp-KHI: 6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: KHI |
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Name | Name: |
-Chemical information
Composition | Formula: C21H24ClN5 / Number of atoms: 51 / Formula weight: 381.902 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: KHI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SKM | ||||
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 1.03 |
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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-5skm:
Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-N,N-dimethyl-2-[2-(1-pyridin-2-ylpyrrolidin-3-yl)ethyl]quinazolin-4-amine