General Information of the Compound
| Compound ID |
CP0385628
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| Compound Name |
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C24H34N2O3S
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| Molecular Weight |
430.614
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| Canonical SMILES |
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H34N2O3S/c1-24(2,3)22-12-8-9-13-23(22)29-19-18-26-16-14-20(15-17-26)25(4)30(27,28)21-10-6-5-7-11-21/h5-13,20H,14-19H2,1-4H3
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| InChIKey |
NQJVSNLXUDSRRU-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