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Yorodumi- ChemComp-RKD: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]et... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: RKD |
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Name | Name: ( Synonyms: (1S)-2-AMINO-1-(4-CHLOROPHENYL)-1-(4-(1H-PYRAZOL-4-YL)PHENYL)ETHAN-1-OL |
-Chemical information
Composition | Formula: C17H17ClN3O / Number of atoms: 39 / Formula weight: 314.789 / Formal charge: 1 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RKD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4AXA | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | [ | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | [OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | [( | |
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