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5NR : Summary
Code ![](/pdbe/static/images/help.png)
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5NR
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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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2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
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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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C14 H22 N2
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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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218.338 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
NCCN1CCC(CC1)Cc2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.4 |
c1ccc(cc1)CC2CCN(CC2)CCN |
Canonical SMILES
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CACTVS |
3.385 |
NCCN1CCC(CC1)Cc2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
c1ccc(cc1)CC2CCN(CC2)CCN |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PCNDXYHWLSHXMV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (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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2015-10-28
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Last modified at ![](/pdbe/static/images/help.png)
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2016-01-29
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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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