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- ChemComp-UXG: 1-(diphenylmethyl)azetidin-3-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: UXG
NameName: 1-(diphenylmethyl)azetidin-3-ol

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Chemical information

Composition
Formula: C16H17NO / Number of atoms: 35 / Formula weight: 239.312 / Formal charge: 0
Others

5rks

Type: non-polymer / PDB classification: HETAIN / Three letter code: UXG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RKS
History
Create componentJun 3, 2020
Initial releaseJun 17, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 12.01c1(ccccc1)C(c2ccccc2)N3CC(C3)O
CACTVS 3.385OC1CN(C1)C(c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(c2ccccc2)N3CC(C3)O

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SMILES CANONICAL

CACTVS 3.385OC1CN(C1)C(c2ccccc2)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(c2ccccc2)N3CC(C3)O

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InChI

InChI 1.03InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2

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InChIKey

InChI 1.03MMAJXKGUZYDTHV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(diphenylmethyl)azetidin-3-ol
OpenEye OEToolkits 2.0.71-(diphenylmethyl)azetidin-3-ol

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PDB entries

Showing all 6 items

PDB-5rks:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1696844792

PDB-5rm2:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527

PDB-7goe:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1342868616

PDB-7gsk:
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000279a

PDB-7hg4:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1696844792

PDB-8plv:
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 32.

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