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Yorodumi- ChemComp-I31: (4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: I31 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C29H32Cl2N2O / Number of atoms: 66 / Formula weight: 495.483 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: I31 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4J7D | ||||
History |
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External links | UniChem / ChEMBL / CompTox / PubChem / SureChEMBL / ZINC / ChemSpider / 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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-PDB entries
Showing all 1 items
PDB-4j7d:
The 1.25A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5045331