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- ChemComp-LAZ: N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: LAZ
NameName: N-(2-aminoethyl)-P-chlorobenzamide / Synonyms: 4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE

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Chemical information

Composition
Formula: C9H10ClNO2 / Number of atoms: 23 / Formula weight: 199.634 / Formal charge: 0
Others

1ojc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LAZ / Model coordinates PDB-ID: 1OJC
History
Create componentJul 8, 2003
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
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 10.04O=C(c1ccc(Cl)cc1)NCCO
CACTVS 3.341OCCNC(=O)c1ccc(Cl)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NCCO)Cl

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SMILES CANONICAL

CACTVS 3.341OCCNC(=O)c1ccc(Cl)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NCCO)Cl

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InChI

InChI 1.03InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)

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InChIKey

InChI 1.03GBARCMIFTACERW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-chloro-N-(2-hydroxyethyl)benzamide
OpenEye OEToolkits 1.5.04-chloro-N-(2-hydroxyethyl)benzamide

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PDB entries

Showing all 3 items

PDB-1ojc:
HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH N-(2-aminoethyl)-p-chlorobenzamide

PDB-7fng:
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07B12 from the F2X-Universal Library

PDB-7h8v:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31725206 (CHIKV_MacB-x1315)

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