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- ChemComp-MFG: (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: MFG
NameName: (1Z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine

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Chemical information

Composition
Formula: C11H12FN / Number of atoms: 25 / Formula weight: 177.218 / Formal charge: 0
Others

2vz2

Type: non-polymer / Three letter code: MFG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VZ2
History
Create componentJul 29, 2008
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 10.04Fc1ccc(cc1)CCC(=C)/C=[N@H]
CACTVS 3.341Fc1ccc(CCC(=C)C=N)cc1
OpenEye OEToolkits 1.5.0[H]N=CC(=C)CCc1ccc(cc1)F

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SMILES CANONICAL

CACTVS 3.341Fc1ccc(CCC(=C)C=N)cc1
OpenEye OEToolkits 1.5.0[H]/N=C/C(=C)CCc1ccc(cc1)F

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InChI

InChI 1.03InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+

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InChIKey

InChI 1.03CFVUPEQWSFCCFT-MDWZMJQESA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1E)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine
OpenEye OEToolkits 1.5.04-(4-fluorophenyl)-2-methylidene-butan-1-imine

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PDB entries

Showing all 1 items

PDB-2vz2:
Human MAO B in complex with mofegiline

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