General Information of the Compound
| Compound ID |
CP0532783
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| Compound Name |
N-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]-4-methyl-N-phenylbenzenesulfonamide
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| Structure |
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| Formula |
C30H36N4O2S2
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| Molecular Weight |
548.778
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N(CCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C30H36N4O2S2/c1-25-15-17-27(18-16-25)38(35,36)34(26-11-5-4-6-12-26)20-10-3-2-9-19-32-21-23-33(24-22-32)30-28-13-7-8-14-29(28)37-31-30/h4-8,11-18H,2-3,9-10,19-24H2,1H3
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| InChIKey |
QEGVRHLMTQXKBP-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