General Information of the Compound
| Compound ID |
CP0458499
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| Compound Name |
N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3-methylbenzenesulfonamide
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| Structure |
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| Formula |
C20H24N4O2S2
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| Molecular Weight |
416.572
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)NCCN1CCN(CC1)c1nsc2ccccc12
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| InChI |
InChI=1S/C20H24N4O2S2/c1-16-5-4-6-17(15-16)28(25,26)21-9-10-23-11-13-24(14-12-23)20-18-7-2-3-8-19(18)27-22-20/h2-8,15,21H,9-14H2,1H3
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| InChIKey |
IHUSAUOGQDOBGQ-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