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WLX : Summary
Code ![](/pdbe/static/images/help.png)
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WLX
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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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isoquinolin-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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C9 H8 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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144.173 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 |
Nc1cc2ccccc2cn1 |
SMILES
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CACTVS |
3.385 |
Nc1cc2ccccc2cn1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2cnc(cc2c1)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1cc2ccccc2cn1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2cnc(cc2c1)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VYCKDIRCVDCQAE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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19 (11 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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2023-05-15
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Last modified at ![](/pdbe/static/images/help.png)
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2023-06-09
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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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