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Yorodumi- ChemComp-RQS: N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: RQS |
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Name | Name: |
-Chemical information
Composition | Formula: C20H16N4O / Number of atoms: 41 / Formula weight: 328.367 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: RQS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6VXQ | ||||
History |
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External links | UniChem / ChEMBL / PubChem / ChemSpider / 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-6vxq:
Bruton's tyrosine kinase in complex with compound 5