General Information of the Compound
| Compound ID |
CP0543362
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| Compound Name |
1,1-dioxo-2-[5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-1,2-benzothiazol-3-one
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| Formula |
C23H26F3N3O3S
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| Molecular Weight |
481.54
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C23H26F3N3O3S/c24-23(25,26)18-7-6-8-19(17-18)28-15-13-27(14-16-28)11-4-1-5-12-29-22(30)20-9-2-3-10-21(20)33(29,31)32/h2-3,6-10,17H,1,4-5,11-16H2
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| InChIKey |
QSJAUBPARAVPRJ-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