General Information of the Compound
| Compound ID |
CP0244746
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| Compound Name |
(2Z)-1-[(6-chloropyridin-3-yl)methyl]-2-(nitromethylidene)-1,3-diazinane
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| Structure |
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| Formula |
C11H13ClN4O2
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| Molecular Weight |
268.704
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| Canonical SMILES |
[O-][N+](=O)\C=C1\NCCCN1Cc1ccc(Cl)nc1
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| InChI |
InChI=1S/C11H13ClN4O2/c12-10-3-2-9(6-14-10)7-15-5-1-4-13-11(15)8-16(17)18/h2-3,6,8,13H,1,4-5,7H2/b11-8-
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| InChIKey |
GEOWRBWWMXCKFQ-FLIBITNWSA-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
Protein ID: PT03766, Acetylcholine receptor subunit alpha
Protein ID: PT02515, Neuronal acetylcholine receptor subunit alpha-3
Protein ID: PT07206, Neuronal acetylcholine receptor subunit alpha-4
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7