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Yorodumi- ChemComp-92R: 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 92R |
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Name | Name: |
-Chemical information
Composition | Formula: C19H20N2O2 / Number of atoms: 43 / Formula weight: 308.374 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 92R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UW1 | ||||
History |
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External links | UniChem / ChEMBL / Nikkaji / PubChem / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | 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-4uw1:
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor