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- ChemComp-T63: 2-phenylpyrimidin-5-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: T63
NameName: 2-phenylpyrimidin-5-ol

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Chemical information

Composition
Formula: C10H8N2O / Number of atoms: 21 / Formula weight: 172.183 / Formal charge: 0
Others

7gqm

Type: non-polymer / PDB classification: HETAIN / Three letter code: T63 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GQM
History
Create componentAug 28, 2023
Initial releaseNov 29, 2023
External linksUniChem / ChemSpider / CompTox / PubChem / 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 12.01Oc1cnc(nc1)c1ccccc1
CACTVS 3.385Oc1cnc(nc1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(cn2)O

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SMILES CANONICAL

CACTVS 3.385Oc1cnc(nc1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(cn2)O

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InChI

InChI 1.06InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H

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InChIKey

InChI 1.06VXOJYMHSOARYSV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-phenylpyrimidin-5-ol
OpenEye OEToolkits 2.0.72-phenylpyrimidin-5-ol

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PDB entries

Showing all 2 items

PDB-7gqm:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z362043378

PDB-7h4y:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z362043378 (A71EV2A-x1146)

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