General Information of the Compound
| Compound ID |
CP0502111
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| Compound Name |
1-[6-(2-Dimethylamino-ethylsulfanyl)-pyridin-2-yl]-cyclohexanol
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| Structure |
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| Formula |
C15H24N2OS
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| Molecular Weight |
280.437
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| Canonical SMILES |
CN(C)CCSc1cccc(n1)C1(O)CCCCC1
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| InChI |
InChI=1S/C15H24N2OS/c1-17(2)11-12-19-14-8-6-7-13(16-14)15(18)9-4-3-5-10-15/h6-8,18H,3-5,9-12H2,1-2H3
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| InChIKey |
NJQKIZFGISMHHC-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor