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EPJ : Summary
Code ![](/pdbe/static/images/help.png)
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EPJ
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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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EPIBATIDINE
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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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C11 H13 Cl 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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208.687 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 |
10.04 |
Clc1ncc(cc1)C3CC2NC3CC2 |
SMILES
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CACTVS |
3.341 |
Clc1ccc(cn1)[CH]2C[CH]3CC[CH]2N3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ncc1C2CC3CCC2N3)Cl |
Canonical SMILES
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CACTVS |
3.341 |
Clc1ccc(cn1)[C@H]2C[C@@H]3CC[C@H]2N3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NLPRAJRHRHZCQQ-IVZWLZJFSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (14 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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2003-08-06
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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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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