General Information of the Compound
| Compound ID |
CP0391600
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| Compound Name |
1,1-dioxo-2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C21H27N5O3S
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| Molecular Weight |
429.546
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| Canonical SMILES |
O=C1N(CCCCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C21H27N5O3S/c27-20-18-8-3-4-9-19(18)30(28,29)26(20)13-6-2-1-5-12-24-14-16-25(17-15-24)21-22-10-7-11-23-21/h3-4,7-11H,1-2,5-6,12-17H2
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| InChIKey |
OUHWYWVRNFHIJL-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