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LQZ : Summary
Code
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LQZ
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One-letter code
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X
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Molecule name
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2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide
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Systematic names
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Formula
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C14 H22 N2 O
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Formal charge
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0
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Molecular weight
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234.337 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
11.02 |
O=C(Nc1c(cccc1C)C)CN(CC)CC |
SMILES
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CACTVS |
3.352 |
CCN(CC)CC(=O)Nc1c(C)cccc1C |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CCN(CC)CC(=O)Nc1c(cccc1C)C |
Canonical SMILES
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CACTVS |
3.352 |
CCN(CC)CC(=O)Nc1c(C)cccc1C |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CCN(CC)CC(=O)Nc1c(cccc1C)C |
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IUPAC InChI | InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) |
IUPAC InChI key | NNJVILVZKWQKPM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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39 (17 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2009-09-10
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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