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- ChemComp-W0G: (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: W0G
NameName: (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one

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Chemical information

Composition
Formula: C11H13FN2O / Number of atoms: 28 / Formula weight: 208.232 / Formal charge: 0
Others

5rqi
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: W0G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RQI
History
Create componentSep 24, 2020
Initial releaseJan 13, 2021
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01N1(C(C(CC1)NC)=O)c2ccccc2F
CACTVS 3.385CN[CH]1CCN(C1=O)c2ccccc2F
OpenEye OEToolkits 2.0.7CNC1CCN(C1=O)c2ccccc2F

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SMILES CANONICAL

CACTVS 3.385CN[C@@H]1CCN(C1=O)c2ccccc2F
OpenEye OEToolkits 2.0.7CN[C@@H]1CCN(C1=O)c2ccccc2F

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InChI

InChI 1.03InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1

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InChIKey

InChI 1.03LXSCPIWTZCIAIQ-SECBINFHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
OpenEye OEToolkits 2.0.7(3~{R})-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one

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PDB entries

Showing all 3 items

PDB-5s2v:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1186029914

PDB-5sl7:
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PDB-7h6w:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1267773765 (CHIKV_MacB-x0398)

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