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0OM : Summary
Code
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0OM
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One-letter code
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X
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Molecule name
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benzyl pyridine-3-carboxylate
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Systematic names
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Formula
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C13 H11 N O2
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Formal charge
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0
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Molecular weight
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213.232 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(OCc1ccccc1)c2cccnc2 |
SMILES
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CACTVS |
3.370 |
O=C(OCc1ccccc1)c2cccnc2 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)COC(=O)c2cccnc2 |
Canonical SMILES
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CACTVS |
3.370 |
O=C(OCc1ccccc1)c2cccnc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)COC(=O)c2cccnc2 |
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IUPAC InChI | InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2 |
IUPAC InChI key | KVYGGMBOZFWZBQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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27 (16 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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2012-04-03
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Last modified at
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2021-03-01
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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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