General Information of the Compound
| Compound ID |
CP0527898
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| Compound Name |
N-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C30H33F3N4O2S2
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| Molecular Weight |
602.748
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N(CCCCCCN1CCN(CC1)c1nsc2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H33F3N4O2S2/c31-30(32,33)24-11-10-12-25(23-24)37(41(38,39)26-13-4-3-5-14-26)18-9-2-1-8-17-35-19-21-36(22-20-35)29-27-15-6-7-16-28(27)40-34-29/h3-7,10-16,23H,1-2,8-9,17-22H2
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| InChIKey |
XWSSWUGRNPRNER-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