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Q8A : Summary
Code
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Q8A
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One-letter code
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X
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Molecule name
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quinolin-8-amine
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Systematic names
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Formula
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C9 H8 N2
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Formal charge
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0
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Molecular weight
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144.173 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1cccc2cccc(N)c12 |
SMILES
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CACTVS |
3.370 |
Nc1cccc2cccnc12 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
c1cc2cccnc2c(c1)N |
Canonical SMILES
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CACTVS |
3.370 |
Nc1cccc2cccnc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
c1cc2cccnc2c(c1)N |
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IUPAC InChI | InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2 |
IUPAC InChI key | WREVVZMUNPAPOV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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19 (11 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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2011-03-22
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Last modified at
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2012-03-16
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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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