General Information of the Compound
| Compound ID |
CP0453914
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| Compound Name |
N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C20H26N2O3S2
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| Molecular Weight |
406.573
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| Canonical SMILES |
O=S(=O)(NC1CCN(CCOc2cccc3CCCCc23)C1)c1cccs1
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| InChI |
InChI=1S/C20H26N2O3S2/c23-27(24,20-9-4-14-26-20)21-17-10-11-22(15-17)12-13-25-19-8-3-6-16-5-1-2-7-18(16)19/h3-4,6,8-9,14,17,21H,1-2,5,7,10-13,15H2
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| InChIKey |
MXELMKSJXSFSDI-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor