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OCZ : Summary
Code ![](/pdbe/static/images/help.png)
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OCZ
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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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(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide
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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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C13 H13 Cl N2 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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248.708 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 |
Clc1cc2c(cc1)nc3c2CCCC3C(=O)N |
SMILES
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CACTVS |
3.385 |
NC(=O)[CH]1CCCc2c1[nH]c3ccc(Cl)cc23 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=O)[C@H]1CCCc2c1[nH]c3ccc(Cl)cc23 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FUZYTVDVLBBXDL-VIFPVBQESA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (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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2013-06-24
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Last modified at ![](/pdbe/static/images/help.png)
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2014-09-05
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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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