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- ChemComp-SLY: (2-phenoxyphenyl)methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: SLY
NameName: (2-phenoxyphenyl)methanamine

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Chemical information

Composition
Formula: C13H13NO / Number of atoms: 28 / Formula weight: 199.248 / Formal charge: 0
Others

5r8x

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SLY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R8X
History
Create componentMar 11, 2020
Initial releaseJul 22, 2020
External linksUniChem / ChemSpider / ChEMBL / 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 3.385NCc1ccccc1Oc2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)Oc2ccccc2CN

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SMILES CANONICAL

CACTVS 3.385NCc1ccccc1Oc2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)Oc2ccccc2CN

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InChI

InChI 1.03InChI=1S/C13H13NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2

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InChIKey

InChI 1.03WXCFCNCGPYJALB-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-5r8x:
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11396a in complex with MAP kinase p38-alpha

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