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- ChemComp-W2M: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one -

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Basic information

EntryDatabase: PDB chemical components / ID: W2M
NameName: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one

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Chemical information

Composition
Formula: C12H14N2O / Number of atoms: 29 / Formula weight: 202.252 / Formal charge: 0
Others

5rrh
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: W2M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RRH
History
Create componentSep 24, 2020
Initial releaseJan 13, 2021
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

ACDLabs 12.01N3C2(Cc1c(cccc1)NC2=O)CCC3
CACTVS 3.385O=C1Nc2ccccc2C[C]13CCCN3
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CC3(CCCN3)C(=O)N2

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SMILES CANONICAL

CACTVS 3.385O=C1Nc2ccccc2C[C@]13CCCN3
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2

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InChI

InChI 1.03InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1

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InChIKey

InChI 1.03ABOZUPQQWCLVDB-GFCCVEGCSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
OpenEye OEToolkits 2.0.7(3~{R})-spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one

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PDB entries

Showing all 3 items

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PDB-7h1n:
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0120

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