General Information of the Compound
| Compound ID |
CP0447111
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| Compound Name |
N-[1-[2-(2-tert-butylphenoxy)ethyl]piperidin-4-yl]-1-methylpyrazole-4-sulfonamide
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| Structure |
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| Formula |
C21H32N4O3S
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| Molecular Weight |
420.579
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)NC1CCN(CCOc2ccccc2C(C)(C)C)CC1
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| InChI |
InChI=1S/C21H32N4O3S/c1-21(2,3)19-7-5-6-8-20(19)28-14-13-25-11-9-17(10-12-25)23-29(26,27)18-15-22-24(4)16-18/h5-8,15-17,23H,9-14H2,1-4H3
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| InChIKey |
HQWHTQMBSLUFIZ-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: PT00941, 5-hydroxytryptamine receptor 7