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- ChemComp-UFO: 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: UFO
NameName: 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine

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Chemical information

Composition
Formula: C11H17N3 / Number of atoms: 31 / Formula weight: 191.273 / Formal charge: 0
Others

3gqt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: UFO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GQT
History
Create componentMar 26, 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 10.04c2c(cc1c(N(CCN1C)C)c2)CN
CACTVS 3.341CN1CCN(C)c2cc(CN)ccc12
OpenEye OEToolkits 1.5.0CN1CCN(c2c1ccc(c2)CN)C

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SMILES CANONICAL

CACTVS 3.341CN1CCN(C)c2cc(CN)ccc12
OpenEye OEToolkits 1.5.0CN1CCN(c2c1ccc(c2)CN)C

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InChI

InChI 1.03InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3

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InChIKey

InChI 1.03TWGYATHIWDUKGY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
OpenEye OEToolkits 1.5.0(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)methanamine

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PDB entries

Showing all 1 items

PDB-3gqt:
Crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei with fragment (1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methylamine

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