General Information of the Compound
| Compound ID |
CP0475051
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| Compound Name |
4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]sulfonylisoquinoline
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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)c2cncc3ccccc23)CC1
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| InChI |
InChI=1S/C27H31F3N4O2S/c28-27(29,30)23-5-3-6-24(18-23)33-16-14-32(15-17-33)11-8-21-9-12-34(13-10-21)37(35,36)26-20-31-19-22-4-1-2-7-25(22)26/h1-7,18-21H,8-17H2
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| InChIKey |
MPLFGWFRVWQFNU-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