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Yorodumi- ChemComp-YR0: 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YR0 |
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Name | Name: |
-Chemical information
Composition | Formula: C31H32N6O4S / Number of atoms: 74 / Formula weight: 584.689 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: YR0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6WW8 | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / 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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-6ww8:
BRD4 Bromodomain 1 in complex with triple CDK4/6-PI3K-BET inhibitor