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K3J : Summary
Code ![](/pdbe/static/images/help.png)
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K3J
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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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N-ethyl-6-methylpyridazin-3-amine
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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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C7 H11 N3
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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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137.182 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 |
n1nc(NCC)ccc1C |
SMILES
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CACTVS |
3.385 |
CCNc1ccc(C)nn1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCNc1ccc(nn1)C |
Canonical SMILES
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CACTVS |
3.385 |
CCNc1ccc(C)nn1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCNc1ccc(nn1)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RNOJUWVVUNEZSV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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21 (10 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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2018-10-25
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Last modified at ![](/pdbe/static/images/help.png)
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2018-12-14
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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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