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09P : Summary
Code ![](/pdbe/static/images/help.png)
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09P
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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1-(5-ethoxypyridin-3-yl)-1,4-diazepane
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C12 H19 N3 O
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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221.299 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O(c1cc(cnc1)N2CCCNCC2)CC |
SMILES
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CACTVS |
3.370 |
CCOc1cncc(c1)N2CCCNCC2 |
SMILES
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OpenEye OEToolkits |
1.7.2 |
CCOc1cc(cnc1)N2CCCNCC2 |
Canonical SMILES
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CACTVS |
3.370 |
CCOc1cncc(c1)N2CCCNCC2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
CCOc1cc(cnc1)N2CCCNCC2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RQXFSCANOMMTFZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (16 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2011-11-07
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Last modified at ![](/pdbe/static/images/help.png)
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2011-12-09
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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