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QCZ : Summary
Code ![](/pdbe/static/images/help.png)
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QCZ
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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}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide
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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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C18 H19 N3 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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325.362 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 |
CNC(=O)C1=CC(=CN(Cc2ccccc2)C1=O)C(=O)NC3CC3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3 |
Canonical SMILES
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CACTVS |
3.385 |
CNC(=O)C1=CC(=CN(Cc2ccccc2)C1=O)C(=O)NC3CC3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H19N3O3/c1-19-17(23)15-9-13(16(22)20-14-7-8-14)11-21(18(15)24)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,23)(H,20,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QZZCUOVXHPAQRQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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43 (24 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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2020-06-08
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-31
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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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