General Information of the Compound
| Compound ID |
CP0541027
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| Compound Name |
1-methyl-N-[8-[2-(3-phenylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-4-sulfonamide
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| Structure |
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| Formula |
C25H30N4O3S
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| Molecular Weight |
466.607
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C25H30N4O3S/c1-28-18-25(17-26-28)33(30,31)27-21-15-22-10-11-23(16-21)29(22)12-13-32-24-9-5-8-20(14-24)19-6-3-2-4-7-19/h2-9,14,17-18,21-23,27H,10-13,15-16H2,1H3
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| InChIKey |
IBSXCRRTWCNNBT-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