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NUQ : Summary
Code ![](/pdbe/static/images/help.png)
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NUQ
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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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5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one
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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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C15 H12 F 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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269.274 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 |
CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F |
Canonical SMILES
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CACTVS |
3.385 |
CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QXLXUFQMLZRGPI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (20 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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2019-12-16
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Last modified at ![](/pdbe/static/images/help.png)
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2020-02-14
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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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