General Information of the Compound
| Compound ID |
CP0481685
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| Compound Name |
3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C24H24F2N2O3S
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| Molecular Weight |
458.53
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| Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
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| InChI |
InChI=1S/C24H24F2N2O3S/c25-22-11-10-20(16-23(22)26)32(29,30)27-19-12-13-28(17-19)14-15-31-24-9-5-4-8-21(24)18-6-2-1-3-7-18/h1-11,16,19,27H,12-15,17H2
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| InChIKey |
AJRQMVCEFKRUBB-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor