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- ChemComp-PZ0: 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methy... -

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Basic information

EntryDatabase: PDB chemical components / ID: PZ0
NameName: 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine

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Chemical information

Composition
Formula: C22H22ClNO2 / Number of atoms: 48 / Formula weight: 367.869 / Formal charge: 0
Others

8ijx

Type: non-polymer / PDB classification: HETAIN / Three letter code: PZ0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8IJX
History
Create componentMar 8, 2023
Modify coordinatesMar 10, 2023
Modify nameMar 10, 2023
Modify formulaMar 10, 2023
Initial releaseAug 30, 2023
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

CACTVS 3.385CNCc1ccc(OCc2cc(Cl)ccc2OCc3ccccc3)cc1
OpenEye OEToolkits 2.0.7CNCc1ccc(cc1)OCc2cc(ccc2OCc3ccccc3)Cl

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SMILES CANONICAL

CACTVS 3.385CNCc1ccc(OCc2cc(Cl)ccc2OCc3ccccc3)cc1
OpenEye OEToolkits 2.0.7CNCc1ccc(cc1)OCc2cc(ccc2OCc3ccccc3)Cl

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InChI

InChI 1.06InChI=1S/C22H22ClNO2/c1-24-14-17-7-10-21(11-8-17)25-16-19-13-20(23)9-12-22(19)26-15-18-5-3-2-4-6-18/h2-13,24H,14-16H2,1H3

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InChIKey

InChI 1.06KKMPHNRWOFIHIE-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8ijx:
Cryo-EM structure of the gastric proton pump with bound DQ-18

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