General Information of the Compound
| Compound ID |
CP0447124
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| Compound Name |
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-6-chloro-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C23H25ClN4O2S3
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| Molecular Weight |
521.133
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| Canonical SMILES |
Clc1ccc2cc(sc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
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| InChI |
InChI=1S/C23H25ClN4O2S3/c24-18-8-7-17-15-22(31-21(17)16-18)33(29,30)25-9-3-4-10-27-11-13-28(14-12-27)23-19-5-1-2-6-20(19)32-26-23/h1-2,5-8,15-16,25H,3-4,9-14H2
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| InChIKey |
JJLIADRRWNTBBL-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: 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