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Yorodumi- ChemComp-0NT: [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0NT |
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Name | Name: [ |
-Chemical information
Composition | Formula: C21H28N6O / Number of atoms: 56 / Formula weight: 380.487 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0NT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4E5W | ||
History |
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External links | BindingDB / UniChem / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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 | [ |
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-PDB entries
Showing all 1 items
PDB-4e5w:
JAK1 kinase (JH1 domain) in complex with compound 26