General Information of the Compound
| Compound ID |
CP0170167
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| Compound Name |
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C22H31N3O3S
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| Molecular Weight |
417.575
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
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| InChIKey |
YMFRPPUSWRHMPF-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: PT00897, Potassium voltage-gated channel subfamily H member 2