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Yorodumi- ChemComp-98A: 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrol... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 98A |
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Name | Name: |
-Chemical information
Composition | Formula: C18H19N9 / Number of atoms: 46 / Formula weight: 361.404 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 98A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8PQA | ||||
History |
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External links | UniChem / ChemSpider / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8pqa:
c-KIT kinase domain in complex with avapritinib derivative 4