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Yorodumi- ChemComp-43I: 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperid... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 43I |
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Name | Name: |
-Chemical information
Composition | Formula: C23H31Cl2N7O / Number of atoms: 64 / Formula weight: 492.445 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 43I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8HNN | ||||
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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8hnn:
Structure of CXCR3 complexed with antagonist SCH546738