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QJ4 : Summary
Code
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QJ4
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One-letter code
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X
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Molecule name
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6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)
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Systematic names
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Formula
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C19 H28 N4
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Formal charge
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0
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Molecular weight
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312.452 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1c(N)cc(cc1CCCCCCCc2nc(N)cc(c2)C)C |
SMILES
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CACTVS |
3.370 |
Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C |
Canonical SMILES
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CACTVS |
3.370 |
Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C |
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IUPAC InChI | InChI=1S/C19H28N4/c1-14-10-16(22-18(20)12-14)8-6-4-3-5-7-9-17-11-15(2)13-19(21)23-17/h10-13H,3-9H2,1-2H3,(H2,20,22)(H2,21,23) |
IUPAC InChI key | FSVLONGGRYPEKX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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51 (23 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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2013-03-28
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Last modified at
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2013-08-02
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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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