General Information of the Compound
| Compound ID |
CP0484847
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| Compound Name |
3,4-difluoro-N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C18H19F3N2O3S
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| Molecular Weight |
400.422
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| Canonical SMILES |
Fc1cccc(OCCN2CCC(C2)NS(=O)(=O)c2ccc(F)c(F)c2)c1
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| InChI |
InChI=1S/C18H19F3N2O3S/c19-13-2-1-3-15(10-13)26-9-8-23-7-6-14(12-23)22-27(24,25)16-4-5-17(20)18(21)11-16/h1-5,10-11,14,22H,6-9,12H2
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| InChIKey |
KGMNPYRERCCGKH-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