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- ChemComp-WXZ: (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxyli... -

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Basic information

EntryDatabase: PDB chemical components / ID: WXZ
NameName: (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

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Chemical information

Composition
Formula: C17H15ClO2 / Number of atoms: 35 / Formula weight: 286.753 / Formal charge: 0
Others

7g04

Type: non-polymer / PDB classification: HETAIN / Three letter code: WXZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7G04
History
Create componentMay 23, 2023
Initial releaseJun 14, 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

ACDLabs 12.01Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O
CACTVS 3.385OC(=O)[CH]1CCCc2ccc(cc12)c3ccc(Cl)cc3
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc3c(c2)C(CCC3)C(=O)O)Cl

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@@H]1CCCc2ccc(cc12)c3ccc(Cl)cc3
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc3c(c2)[C@@H](CCC3)C(=O)O)Cl

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InChI

InChI 1.06InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1

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InChIKey

InChI 1.06HMSUYCUFTVOQJG-OAHLLOKOSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
OpenEye OEToolkits 2.0.7(1~{R})-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

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PDB entries

Showing all 1 items

PDB-7g04:
Crystal Structure of human FABP5 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

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