General Information of the Compound
| Compound ID |
CP0558696
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| Compound Name |
1,1-dioxo-2-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-benzothiazol-3-one
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| Formula |
C22H27N3O3S
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| Molecular Weight |
413.543
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| Canonical SMILES |
O=C1N(CCCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C22H27N3O3S/c26-22-20-11-5-6-12-21(20)29(27,28)25(22)14-8-2-7-13-23-15-17-24(18-16-23)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2
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| InChIKey |
MDLOPRPXCUEGCT-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