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Yorodumi- ChemComp-94I: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 94I |
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Name | Name: |
-Chemical information
Composition | Formula: C16H21N9O / Number of atoms: 47 / Formula weight: 355.398 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 94I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5ZAG | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-5zag:
uPA-BB2-94F