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WRJ : Summary
Code ![](/pdbe/static/images/help.png)
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WRJ
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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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2H-1-benzopyran-3-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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C10 H9 N O2
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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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175.184 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 |
c1cccc2c1C=C(C(=O)N)CO2 |
SMILES
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CACTVS |
3.385 |
NC(=O)C1=Cc2ccccc2OC1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)C=C(CO2)C(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=O)C1=Cc2ccccc2OC1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)C=C(CO2)C(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | UVEVMKODWDQIAN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (13 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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2020-11-04
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Last modified at ![](/pdbe/static/images/help.png)
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2021-01-08
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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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