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N74 : Summary
Code ![](/pdbe/static/images/help.png)
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N74
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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-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
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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 H15 N5 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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297.312 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 |
N(c2cnn(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O |
SMILES
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CACTVS |
3.385 |
Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HPOHLKVNAQMNHB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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37 (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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2019-05-03
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Last modified at ![](/pdbe/static/images/help.png)
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2019-12-13
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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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