General Information of the Compound
| Compound ID |
CP0375464
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| Compound Name |
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-sulfonamide
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| Structure |
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| Formula |
C22H34N4O3S
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| Molecular Weight |
434.606
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| Canonical SMILES |
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1
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| InChI |
InChI=1S/C22H34N4O3S/c1-22(2,3)20-8-6-7-9-21(20)29-15-14-26-12-10-18(11-13-26)25(5)30(27,28)19-16-23-24(4)17-19/h6-9,16-18H,10-15H2,1-5H3
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| InChIKey |
MKSFZMXFGKIKIM-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