General Information of the Compound
| Compound ID |
CP0424213
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| Compound Name |
2-(4-(4-(4-chlorophenyl)-1-piperazinyl)butyl)-1,2-benzisothiazole-3(2H)-one 1,1-dioxide
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| Structure |
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| Formula |
C21H24ClN3O3S
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| Molecular Weight |
433.961
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C21H24ClN3O3S/c22-17-7-9-18(10-8-17)24-15-13-23(14-16-24)11-3-4-12-25-21(26)19-5-1-2-6-20(19)29(25,27)28/h1-2,5-10H,3-4,11-16H2
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| InChIKey |
AEKRAVIJSVJVBT-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor