General Information of the Compound
| Compound ID |
CP0403509
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| Compound Name |
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-4-fluoro-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C24H33FN2O3S
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| Molecular Weight |
448.604
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| Canonical SMILES |
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H33FN2O3S/c1-24(2,3)22-7-5-6-8-23(22)30-18-17-27-15-13-20(14-16-27)26(4)31(28,29)21-11-9-19(25)10-12-21/h5-12,20H,13-18H2,1-4H3
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| InChIKey |
APKDIQSHDGVEMU-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