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- ChemComp-OG3: (1~{R})-1-(4-chlorophenyl)ethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: OG3
NameName: (1~{R})-1-(4-chlorophenyl)ethanamine / Synonyms: (R)-1-(4-chlorophenyl)ethan-1-amine

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Chemical information

Composition
Formula: C8H10ClN / Number of atoms: 20 / Formula weight: 155.625 / Formal charge: 0
Others

8ayw
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: OG3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AYW
History
Create componentSep 7, 2022
Initial releaseNov 23, 2022
External linksUniChem / ChemSpider / Brenda / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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 3.385C[CH](N)c1ccc(Cl)cc1
OpenEye OEToolkits 3.1.0.0CC(c1ccc(cc1)Cl)N

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SMILES CANONICAL

CACTVS 3.385C[C@@H](N)c1ccc(Cl)cc1
OpenEye OEToolkits 3.1.0.0C[C@H](c1ccc(cc1)Cl)N

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InChI

InChI 1.06InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1

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InChIKey

InChI 1.06PINPOEWMCLFRRB-ZCFIWIBFSA-N

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PDB entries

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PDB-8crk:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2 refined against anomalous diffraction data

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