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Yorodumi- ChemComp-40X: (6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hex... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 40X |
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Name | Name: ( |
-Chemical information
Composition | Formula: C23H27ClN2O3 / Number of atoms: 56 / Formula weight: 414.925 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 40X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4XIR | ||||
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
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 | ( |
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-PDB entries
Showing all 1 items
PDB-4xir:
Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors