General Information of the Compound
| Compound ID |
CP0658944
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| Compound Name |
(RS)-1-(4-methylhexahydro-1-pyridinyl)-2-[1-(1-naphthylsulfonyl)hexahydro-2-pyridinyl]ethane
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| Structure |
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| Formula |
C23H32N2O2S
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| Molecular Weight |
400.588
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| Canonical SMILES |
CC1CCN(CCC2CCCCN2S(=O)(=O)c2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C23H32N2O2S/c1-19-12-16-24(17-13-19)18-14-21-9-4-5-15-25(21)28(26,27)23-11-6-8-20-7-2-3-10-22(20)23/h2-3,6-8,10-11,19,21H,4-5,9,12-18H2,1H3
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| InChIKey |
BDPXTGHWVMUJCT-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT02458, 5-hydroxytryptamine receptor 1F
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00941, 5-hydroxytryptamine receptor 7