General Information of the Compound
| Compound ID |
CP0385629
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| Compound Name |
N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C23H32N2O3S
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| Molecular Weight |
416.587
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H32N2O3S/c1-19(2)22-11-7-8-12-23(22)28-18-17-25-15-13-20(14-16-25)24(3)29(26,27)21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3
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| InChIKey |
NHIJPUMRKSHLBI-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor