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- ChemComp-NT0: N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: NT0
NameName: N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide
Synonyms: 2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide

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Chemical information

Composition
Formula: C23H19N3O2 / Number of atoms: 47 / Formula weight: 369.416 / Formal charge: 0
Others

8aq6

Type: non-polymer / PDB classification: HETAIN / Three letter code: NT0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AQ6
History
Create componentAug 21, 2022
Initial releaseAug 23, 2023
Modify descriptorSep 23, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)Cc4ccco4

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SMILES CANONICAL

CACTVS 3.385O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O)Cc4ccco4

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InChI

InChI 1.06InChI=1S/C23H19N3O2/c27-22(15-19-12-7-13-28-19)26-23-20(14-17-8-3-1-4-9-17)25-21(16-24-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,26,27)

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InChIKey

InChI 1.06SGNAEEQPPHGYPX-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8aq6:
NanoLuc luciferase with bound furimamide in surface allosteric site

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