General Information of the Compound
| Compound ID |
CP0009839
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| Compound Name |
1-(1-benzothien-3-ylmethyl)piperidine
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| Structure |
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| Formula |
C14H17NS
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| Molecular Weight |
231.364
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| Canonical SMILES |
C(N1CCCCC1)c1csc2ccccc12
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| InChI |
InChI=1S/C14H17NS/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14/h2-3,6-7,11H,1,4-5,8-10H2
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| InChIKey |
JKRKLHWYSPAZAT-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