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6UW : Summary
Code ![](/pdbe/static/images/help.png)
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6UW
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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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2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid
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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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C16 H11 Cl F N O3
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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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319.715 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OC(=O)c1cccc2CN(Cc3c(F)cccc3Cl)C(=O)c12 |
SMILES
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OpenEye OEToolkits |
2.0.5 |
c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)c1cccc2CN(Cc3c(F)cccc3Cl)C(=O)c12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.5 |
c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H11ClFNO3/c17-12-5-2-6-13(18)11(12)8-19-7-9-3-1-4-10(16(21)22)14(9)15(19)20/h1-6H,7-8H2,(H,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FOKWRONEBQFTDW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (22 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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2016-06-29
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Last modified at ![](/pdbe/static/images/help.png)
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2017-02-10
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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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