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Yorodumi- ChemComp-QT9: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: QT9 |
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Name | Name: |
-Chemical information
Composition | Formula: C31H34N8O3 / Number of atoms: 76 / Formula weight: 566.653 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: QT9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BJU | ||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8bju:
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one