General Information of the Compound
| Compound ID |
CP0568317
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| Compound Name |
2-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C23H28F3N5O
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| Molecular Weight |
447.505
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCn2nc3ccccn3c2=O)CC1
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| InChI |
InChI=1S/C23H28F3N5O/c24-23(25,26)19-8-7-9-20(18-19)29-16-14-28(15-17-29)11-4-1-2-5-13-31-22(32)30-12-6-3-10-21(30)27-31/h3,6-10,12,18H,1-2,4-5,11,13-17H2
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| InChIKey |
HPCHKTZCFMXPGM-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