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EW5 : Summary
Code ![](/pdbe/static/images/help.png)
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EW5
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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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1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-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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C21 H17 N5 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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355.393 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 |
O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4 |
Canonical SMILES
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CACTVS |
3.385 |
O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C21H17N5O/c27-21(24-14-16-6-10-22-11-7-16)19-15-26(18-4-2-1-3-5-18)25-20(19)17-8-12-23-13-9-17/h1-13,15H,14H2,(H,24,27) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IOZGCMLGYOLKER-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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44 (27 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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2018-04-27
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Last modified at ![](/pdbe/static/images/help.png)
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2019-08-02
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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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