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LJJ : Summary
Code ![](/pdbe/static/images/help.png)
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LJJ
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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-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-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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C10 H17 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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195.261 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 |
n2nc(NC1CCCCCC1)oc2C |
SMILES
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CACTVS |
3.385 |
Cc1oc(NC2CCCCCC2)nn1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1nnc(o1)NC2CCCCCC2 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1oc(NC2CCCCCC2)nn1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1nnc(o1)NC2CCCCCC2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H17N3O/c1-8-12-13-10(14-8)11-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,11,13) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BHDKFMDJCREHTJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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31 (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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2019-02-22
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Last modified at ![](/pdbe/static/images/help.png)
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2019-05-03
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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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