General Information of the Compound
| Compound ID |
CP0011764
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| Compound Name |
2-methylsulfanyl-3-(piperidin-1-ylmethyl)-1H-indole
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| Structure |
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| Formula |
C15H20N2S
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| Molecular Weight |
260.406
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| Canonical SMILES |
CSc1[nH]c2ccccc2c1CN1CCCCC1
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| InChI |
InChI=1S/C15H20N2S/c1-18-15-13(11-17-9-5-2-6-10-17)12-7-3-4-8-14(12)16-15/h3-4,7-8,16H,2,5-6,9-11H2,1H3
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| InChIKey |
RLUSXHNRANXXDK-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