General Information of the Compound
| Compound ID |
CP0540392
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| Compound Name |
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
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| Formula |
C21H23Cl2N3O3S
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| Molecular Weight |
468.406
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1Cl
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| InChI |
InChI=1S/C21H23Cl2N3O3S/c22-17-7-5-8-18(20(17)23)25-14-12-24(13-15-25)10-3-4-11-26-21(27)16-6-1-2-9-19(16)30(26,28)29/h1-2,5-9H,3-4,10-15H2
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| InChIKey |
JZZWTXIQHYXBKT-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