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PY7 : Summary
Code
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PY7
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One-letter code
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X
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Molecule name
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PYRIDIN-4-YLMETHANOL
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Synonyms
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4-PYRIDYLCARBINOL
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Systematic names
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Formula
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C6 H7 N O
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Formal charge
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0
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Molecular weight
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109.126 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OCc1ccncc1 |
SMILES
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CACTVS |
3.341 |
OCc1ccncc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cnccc1CO |
Canonical SMILES
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CACTVS |
3.341 |
OCc1ccncc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cnccc1CO |
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IUPAC InChI | InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2 |
IUPAC InChI key | PTMBWNZJOQBTBK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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15 (8 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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2005-11-08
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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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