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SVF : Summary
Code ![](/pdbe/static/images/help.png)
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SVF
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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-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
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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 H18 F N 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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235.297 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 |
CC(=O)N1CCC(CC1)Cc2ccc(F)cc2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)N1CCC(CC1)Cc2ccc(cc2)F |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)N1CCC(CC1)Cc2ccc(F)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)N1CCC(CC1)Cc2ccc(cc2)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | OOMYIKQRRZLESA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (17 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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2017-06-21
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Last modified at ![](/pdbe/static/images/help.png)
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2018-04-20
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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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