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Yorodumi- ChemComp-X9S: 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X9S |
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Name | Name: |
-Chemical information
Composition | Formula: C32H36N8O3 / Number of atoms: 79 / Formula weight: 580.68 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: X9S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7KXO | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / 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-7kxo:
BTK1 SOAKED WITH COMPOUND 24