General Information of the Compound
| Compound ID |
CP0540390
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| Compound Name |
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,1-dioxo-1,2-benzothiazol-3-one
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| Formula |
C23H29N3O4S
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| Molecular Weight |
443.569
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C23H29N3O4S/c1-30-21-11-5-4-10-20(21)25-17-15-24(16-18-25)13-7-2-8-14-26-23(27)19-9-3-6-12-22(19)31(26,28)29/h3-6,9-12H,2,7-8,13-18H2,1H3
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| InChIKey |
AAQUEQYOKSKIDA-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