General Information of the Compound
| Compound ID |
CP0475050
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| Compound Name |
5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]sulfonylquinoline
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| Structure |
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| Formula |
C27H31F3N4O2S
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| Molecular Weight |
532.632
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
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| InChI |
InChI=1S/C27H31F3N4O2S/c28-27(29,30)22-4-1-5-23(20-22)33-18-16-32(17-19-33)13-9-21-10-14-34(15-11-21)37(35,36)26-8-2-7-25-24(26)6-3-12-31-25/h1-8,12,20-21H,9-11,13-19H2
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| InChIKey |
GWDIEKMJVLZAJF-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