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- ChemComp-WJG: (S)-1-(4-methoxyphenyl)-1-phenylmethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: WJG
NameName: (S)-1-(4-methoxyphenyl)-1-phenylmethanamine

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Chemical information

Composition
Formula: C14H15NO / Number of atoms: 31 / Formula weight: 213.275 / Formal charge: 0
Others

5rzw

Type: non-polymer / PDB classification: HETAIN / Three letter code: WJG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RZW
History
Create componentOct 30, 2020
Initial releaseNov 11, 2020
External linksUniChem / ChemSpider / 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 12.01c2(C(N)c1ccccc1)ccc(OC)cc2
CACTVS 3.385COc1ccc(cc1)[CH](N)c2ccccc2
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C(c2ccccc2)N

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1)[C@@H](N)c2ccccc2
OpenEye OEToolkits 2.0.7COc1ccc(cc1)[C@@H](c2ccccc2)N

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InChI

InChI 1.03InChI=1S/C14H15NO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,15H2,1H3

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InChIKey

InChI 1.03MXDBCXKVTJDKNP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(S)-1-(4-methoxyphenyl)-1-phenylmethanamine
OpenEye OEToolkits 2.0.7(~{R})-(4-methoxyphenyl)-phenyl-methanamine

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PDB entries

Showing all 3 items

PDB-13si:
PanDDA analysis group deposition -- IDOL RING domain in complex with Z2574937229

PDB-5rzw:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2574937229

PDB-7hst:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z2574937229

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