General Information of the Compound
| Compound ID |
CP0545014
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| Compound Name |
2-[6-(4-naphthalen-1-ylpiperazin-1-yl)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C26H31N5O
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| Molecular Weight |
429.568
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| Canonical SMILES |
O=c1n(CCCCCCN2CCN(CC2)c2cccc3ccccc23)nc2ccccn12
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| InChI |
InChI=1S/C26H31N5O/c32-26-30-16-8-5-14-25(30)27-31(26)17-7-2-1-6-15-28-18-20-29(21-19-28)24-13-9-11-22-10-3-4-12-23(22)24/h3-5,8-14,16H,1-2,6-7,15,17-21H2
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| InChIKey |
XNSZWIKNBVYPCN-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor