General Information of the Compound
| Compound ID |
CP0009841
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| Compound Name |
2-(7-chloro-2-methyl-1,3-dihydro-[1]benzothiolo[2,3-c]pyrrol-2-ium-2-yl)ethanol
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| Structure |
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| Formula |
C13H15ClNOS+
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| Molecular Weight |
268.789
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| Canonical SMILES |
C[N+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1
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| InChI |
InChI=1S/C13H15ClNOS/c1-15(4-5-16)7-11-10-6-9(14)2-3-12(10)17-13(11)8-15/h2-3,6,16H,4-5,7-8H2,1H3/q+1
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| InChIKey |
MCCRVVXXYSKXAG-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
Protein ID: PT03245, Acetylcholine-binding protein
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7