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- ChemComp-FUZ: 2-[(furan-2-ylmethyl)amino]benzoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: FUZ
NameName: 2-[(furan-2-ylmethyl)amino]benzoic acid

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Chemical information

Composition
Formula: C12H11NO3 / Number of atoms: 27 / Formula weight: 217.221 / Formal charge: 0
Others

3jqt
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FUZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3JQT
History
Create componentSep 11, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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 11.02O=C(O)c2c(NCc1occc1)cccc2
CACTVS 3.352OC(=O)c1ccccc1NCc2occc2
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)O)NCc2ccco2

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SMILES CANONICAL

CACTVS 3.352OC(=O)c1ccccc1NCc2occc2
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)O)NCc2ccco2

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InChI

InChI 1.03InChI=1S/C12H11NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)

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InChIKey

InChI 1.03CKOPWCOBXHDAOZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 11.022-[(furan-2-ylmethyl)amino]benzoic acid
OpenEye OEToolkits 1.6.12-(furan-2-ylmethylamino)benzoic acid

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PDB entries

Showing all 1 items

PDB-3rf5:
Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide

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