General Information of the Compound
| Compound ID |
CP0548405
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| Compound Name |
2-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1,1-dioxo-1,2-benzothiazol-3-one
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| Formula |
C22H25Cl2N3O3S
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| Molecular Weight |
482.433
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1Cl
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| InChI |
InChI=1S/C22H25Cl2N3O3S/c23-18-8-6-9-19(21(18)24)26-15-13-25(14-16-26)11-4-1-5-12-27-22(28)17-7-2-3-10-20(17)31(27,29)30/h2-3,6-10H,1,4-5,11-16H2
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| InChIKey |
RWQZSXGTDPICOA-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