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AHN : Summary
Code
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AHN
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One-letter code
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X
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Molecule name
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N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE
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Systematic names
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Formula
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C7 H11 N3 O
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Formal charge
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0
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Molecular weight
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153.182 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(NCCc1ncnc1)C |
SMILES
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CACTVS |
3.341 |
CC(=O)NCCc1c[nH]cn1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)NCCc1c[nH]cn1 |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)NCCc1c[nH]cn1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)NCCc1c[nH]cn1 |
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IUPAC InChI | InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) |
IUPAC InChI key | XJWPISBUKWZALE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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22 (11 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2005-07-29
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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