General Information of the Compound
| Compound ID |
CP0286140
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| Compound Name |
1-oxido-2-{4-[5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pentyl]piperazin-1-yl}pyridin-1-ium
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| Structure |
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| Formula |
C25H34N4O2
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| Molecular Weight |
422.573
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| Canonical SMILES |
[O-][n+]1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C25H34N4O2/c30-24(26-23-12-8-10-21-9-3-4-11-22(21)23)13-2-1-6-15-27-17-19-28(20-18-27)25-14-5-7-16-29(25)31/h3-5,7,9,11,14,16,23H,1-2,6,8,10,12-13,15,17-20H2,(H,26,30)
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| InChIKey |
UKQVZMCEYHZTPP-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: PT01746, 5-hydroxytryptamine receptor 7