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- ChemComp-SWX: (4-pyrimidin-5-ylphenyl)methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: SWX
NameName: (4-pyrimidin-5-ylphenyl)methanol

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Chemical information

Composition
Formula: C11H10N2O / Number of atoms: 24 / Formula weight: 186.21 / Formal charge: 0
Others

5g44

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SWX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5g44
History
Create componentMay 5, 2016
Other modificationJun 7, 2016
Initial releaseAug 3, 2016
External linksUniChem / ChemSpider / ChEBI / 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

CACTVS 3.385OCc1ccc(cc1)c2cncnc2
OpenEye OEToolkits 2.0.5c1cc(ccc1CO)c2cncnc2

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SMILES CANONICAL

CACTVS 3.385OCc1ccc(cc1)c2cncnc2
OpenEye OEToolkits 2.0.5c1cc(ccc1CO)c2cncnc2

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InChI

InChI 1.03InChI=1S/C11H10N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-6,8,14H,7H2

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InChIKey

InChI 1.03QPOIDCHBWLGFGU-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.5(4-pyrimidin-5-ylphenyl)methanol

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PDB entries

Showing all 1 items

PDB-5g44:
Ligand complex of RORg LBD

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