General Information of the Compound
| Compound ID |
CP0469370
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| Compound Name |
1,1-dioxo-2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C24H28F3N3O3S
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| Molecular Weight |
495.567
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| Canonical SMILES |
FC(F)(F)c1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C24H28F3N3O3S/c25-24(26,27)20-10-4-5-11-21(20)29-17-15-28(16-18-29)13-7-1-2-8-14-30-23(31)19-9-3-6-12-22(19)34(30,32)33/h3-6,9-12H,1-2,7-8,13-18H2
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| InChIKey |
NCMZUNHPJFBZHL-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