General Information of the Compound
| Compound ID |
CP0013829
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| Compound Name |
(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine
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| Structure |
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| Formula |
C9H10ClN5O2
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| Molecular Weight |
255.665
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| Canonical SMILES |
[O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1
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| InChI |
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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| InChIKey |
YWTYJOPNNQFBPC-UHFFFAOYSA-N
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| CAS |
138261-41-3
105827-78-9
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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
Protein ID: PT02515, Neuronal acetylcholine receptor subunit alpha-3
Protein ID: PT07206, Neuronal acetylcholine receptor subunit alpha-4