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- ChemComp-UUY: 2-[methyl(pyridin-2-yl)amino]ethan-1-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: UUY
NameName: 2-[methyl(pyridin-2-yl)amino]ethan-1-ol

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Chemical information

Composition
Formula: C8H12N2O / Number of atoms: 23 / Formula weight: 152.194 / Formal charge: 0
Others

5rk2

Type: non-polymer / PDB classification: HETAIN / Three letter code: UUY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RK2
History
Create componentJun 2, 2020
Initial releaseJun 17, 2020
External linksUniChem / ChemSpider / ChemicalBook / CompTox / 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 12.01n1ccccc1N(C)CCO
CACTVS 3.385CN(CCO)c1ccccn1
OpenEye OEToolkits 2.0.7CN(CCO)c1ccccn1

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SMILES CANONICAL

CACTVS 3.385CN(CCO)c1ccccn1
OpenEye OEToolkits 2.0.7CN(CCO)c1ccccn1

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InChI

InChI 1.03InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3

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InChIKey

InChI 1.03MWGKOPUDDQZERY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-[methyl(pyridin-2-yl)amino]ethan-1-ol
OpenEye OEToolkits 2.0.72-[methyl(pyridin-2-yl)amino]ethanol

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PDB entries

Showing all 1 items

PDB-5rk2:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z54633859

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