General Information of the Compound
| Compound ID |
CP0471830
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| Compound Name |
2-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C23H27Cl2N3O3S
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| Molecular Weight |
496.46
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| Canonical SMILES |
Clc1ccc(cc1Cl)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C23H27Cl2N3O3S/c24-20-10-9-18(17-21(20)25)27-15-13-26(14-16-27)11-5-1-2-6-12-28-23(29)19-7-3-4-8-22(19)32(28,30)31/h3-4,7-10,17H,1-2,5-6,11-16H2
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| InChIKey |
LKCRBUFMFBJKHT-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