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SNV : Summary
Code ![](/pdbe/static/images/help.png)
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SNV
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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-(2-aminophenyl)piperazin-1-yl]ethanol
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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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CACTVS |
3.385 |
Nc1ccccc1N2CCN(CCO)CC2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(c(c1)N)N2CCN(CC2)CCO |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ccccc1N2CCN(CCO)CC2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(c(c1)N)N2CCN(CC2)CCO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YZRHRBADADYIFX-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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2020-03-11
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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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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