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- ChemComp-JP4: [2-(morpholin-4-yl)phenyl]methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: JP4
NameName: [2-(morpholin-4-yl)phenyl]methanol

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Chemical information

Composition
Formula: C11H15NO2 / Number of atoms: 29 / Formula weight: 193.242 / Formal charge: 0
Others

5qg0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JP4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QG0
History
Create componentSep 12, 2018
Initial releaseOct 10, 2018
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 12.01C1COCCN1c2ccccc2CO
CACTVS 3.385OCc1ccccc1N2CCOCC2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)CO)N2CCOCC2

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SMILES CANONICAL

CACTVS 3.385OCc1ccccc1N2CCOCC2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)CO)N2CCOCC2

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InChI

InChI 1.03InChI=1S/C11H15NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,13H,5-9H2

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InChIKey

InChI 1.03MYGVYNRBQSAMIF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01[2-(morpholin-4-yl)phenyl]methanol
OpenEye OEToolkits 2.0.6(2-morpholin-4-ylphenyl)methanol

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PDB entries

Showing all 3 items

PDB-5qg0:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000280c

PDB-7gtj:
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000280c

PDB-9hfb:
Crystal structure of human TRF1 TRFH domain in complex with compound 7

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