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- ChemComp-SYL: (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: SYL
NameName: (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol

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Chemical information

Composition
Formula: C17H27NO2 / Number of atoms: 47 / Formula weight: 277.402 / Formal charge: 0
Others

8doc

Type: non-polymer / PDB classification: HETAIN / Three letter code: SYL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8DOC
History
Create componentJul 13, 2022
Initial releaseMay 24, 2023
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 12.01CNCCC(O)c1cc(OCC2CCCCC2)ccc1
CACTVS 3.385CNCC[CH](O)c1cccc(OCC2CCCCC2)c1
OpenEye OEToolkits 2.0.7CNCCC(c1cccc(c1)OCC2CCCCC2)O

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SMILES CANONICAL

CACTVS 3.385CNCC[C@@H](O)c1cccc(OCC2CCCCC2)c1
OpenEye OEToolkits 2.0.7CNCC[C@H](c1cccc(c1)OCC2CCCCC2)O

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InChI

InChI 1.06InChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3/t17-/m1/s1

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InChIKey

InChI 1.06ZUJMXLRQVDCTHJ-QGZVFWFLSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
OpenEye OEToolkits 2.0.7(1~{R})-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol

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PDB entries

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PDB-8doc:
Crystal structure of RPE65 in complex with compound 16e and palmitate

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