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Yorodumi- ChemComp-5M6: 1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5M6 |
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Name | Name: |
-Chemical information
Composition | Formula: C18H18ClN3O2S / Number of atoms: 43 / Formula weight: 375.872 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5M6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EDE | ||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.4 |
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-PDB entries
Showing all 1 items
PDB-5ede:
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc(s1)C(NCC2OCCC2)=O)c(nn3c4ccc(cc4)Cl)C, micromolar IC50=0.217