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Yorodumi- ChemComp-559: 5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]tri... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 559 |
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Name | Name: |
-Chemical information
Composition | Formula: C23H21ClN6 / Number of atoms: 51 / Formula weight: 416.906 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 559 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4Z1S | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / 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 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4z1s:
Crystal structure of the first bromodomain of human BRD4 with benzotriazolo-diazepine scaffold