General Information of the Compound
| Compound ID |
CP0447110
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| Compound Name |
1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide
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| Structure |
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| Formula |
C21H24N4O3S
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| Molecular Weight |
412.515
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)NC1CN(CCOc2ccccc2-c2ccccc2)C1
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| InChI |
InChI=1S/C21H24N4O3S/c1-24-16-19(13-22-24)29(26,27)23-18-14-25(15-18)11-12-28-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-10,13,16,18,23H,11-12,14-15H2,1H3
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| InChIKey |
QJIYMWVGOGXPNR-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