General Information of the Compound
| Compound ID |
CP0548406
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| Compound Name |
1,1-dioxo-2-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1,2-benzothiazol-3-one
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| Formula |
C20H25N5O3S
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| Molecular Weight |
415.519
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| Canonical SMILES |
O=C1N(CCCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C20H25N5O3S/c26-19-17-7-2-3-8-18(17)29(27,28)25(19)12-5-1-4-11-23-13-15-24(16-14-23)20-21-9-6-10-22-20/h2-3,6-10H,1,4-5,11-16H2
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| InChIKey |
KTQNLFJFAOQCKC-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