General Information of the Compound
| Compound ID |
CP0407076
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| Compound Name |
3-chloro-N-[8-[2-(3-phenylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C27H29ClN2O3S
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| Molecular Weight |
497.06
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C27H29ClN2O3S/c28-22-9-5-11-27(17-22)34(31,32)29-23-18-24-12-13-25(19-23)30(24)14-15-33-26-10-4-8-21(16-26)20-6-2-1-3-7-20/h1-11,16-17,23-25,29H,12-15,18-19H2
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| InChIKey |
FARUXTURXOFRQS-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor