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Yorodumi- ChemComp-20A: 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 20A |
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Name | Name: Synonyms: N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
-Chemical information
Composition | Formula: C21H25N5O2 / Number of atoms: 53 / Formula weight: 379.456 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 20A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3D3P | ||||||||
History |
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External links | UniChem / BindingDB / ChEMBL / DrugBank / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-3d3p:
Crystal structure of PDE4B catalytic domain in complex with a pyrazolopyridine inhibitor