General Information of the Compound
| Compound ID |
CP0514189
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| Compound Name |
2-(2-hydroxy-3-pyridin-1-ium-1-ylpropoxy)acetonitrile
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| Structure |
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| Formula |
C10H13N2O2+
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| Molecular Weight |
193.226
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| Canonical SMILES |
OC(COCC#N)C[n+]1ccccc1
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| InChI |
InChI=1S/C10H13N2O2/c11-4-7-14-9-10(13)8-12-5-2-1-3-6-12/h1-3,5-6,10,13H,7-9H2/q+1
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| InChIKey |
MPSLUYZOSZOJCD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound