General Information of the Compound
| Compound ID |
CP0554601
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| Compound Name |
2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C24H31N3O4S
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| Molecular Weight |
457.596
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C24H31N3O4S/c1-31-21-12-10-20(11-13-21)26-18-16-25(17-19-26)14-6-2-3-7-15-27-24(28)22-8-4-5-9-23(22)32(27,29)30/h4-5,8-13H,2-3,6-7,14-19H2,1H3
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| InChIKey |
HMNQGWRAUUDLTE-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: PT01005, D(2) dopamine receptor