General Information of the Compound
| Compound ID |
CP0458932
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| Compound Name |
3,4-difluoro-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 |
C27H28F2N2O3S
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| Molecular Weight |
498.595
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| Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C27H28F2N2O3S/c28-26-12-11-25(18-27(26)29)35(32,33)30-21-16-22-9-10-23(17-21)31(22)13-14-34-24-8-4-7-20(15-24)19-5-2-1-3-6-19/h1-8,11-12,15,18,21-23,30H,9-10,13-14,16-17H2
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| InChIKey |
XIXKXTYXCCOARP-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