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Yorodumi- ChemComp-OB5: (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: OB5 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C27H27NO6S / Number of atoms: 62 / Formula weight: 493.571 / Formal charge: 0 | ||||
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Others | 4zwk | ||||
History |
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External links | UniChem / PubChem / PubChem_TPharma / ZINC / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | ( | |
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-PDB entries
Showing all 1 items
PDB-5kcf:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative