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UVJ : Summary
Code ![](/pdbe/static/images/help.png)
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UVJ
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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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3-(2-methyl-1H-benzimidazol-1-yl)propanamide
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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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C11 H13 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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203.24 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 |
n2(c1ccccc1nc2C)CCC(N)=O |
SMILES
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CACTVS |
3.385 |
Cc1nc2ccccc2n1CCC(N)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1nc2ccccc2n1CCC(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
Cc1nc2ccccc2n1CCC(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1nc2ccccc2n1CCC(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HZTUIHZIQKFSIL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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28 (15 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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2020-06-02
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-12
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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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