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- ChemComp-UOU: 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: UOU
NameName: 1-[4-[[2-[(4-chlorophenyl)methoxy]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

8jmn

Type: non-polymer / PDB classification: HETAIN / Three letter code: UOU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8JMN
History
Create componentJun 13, 2023
Initial releaseAug 30, 2023
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CNCc1ccc(OCc2ccccc2OCc3ccc(Cl)cc3)cc1
OpenEye OEToolkits 2.0.7CNCc1ccc(cc1)OCc2ccccc2OCc3ccc(cc3)Cl

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SMILES CANONICAL

CACTVS 3.385CNCc1ccc(OCc2ccccc2OCc3ccc(Cl)cc3)cc1
OpenEye OEToolkits 2.0.7CNCc1ccc(cc1)OCc2ccccc2OCc3ccc(cc3)Cl

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InChI

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

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InChIKey

InChI 1.06FBMMJKKOOVCCQD-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8jmn:
Cryo-EM structure of the gastric proton pump with bound DQ-21

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