General Information of the Compound
Compound ID
CP0911693
Compound Name
4-Fluoro-N-{1-[2-(biphenyl-2-yloxy)ethyl]pyrrolidin-3-yl}benzenesulfonamide
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Structure
Formula
C24H25FN2O3S
Molecular Weight
440.54
Canonical SMILES
O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc(F)cc1
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InChI
InChI=1S/C24H25FN2O3S/c25-20-10-12-22(13-11-20)31(28,29)26-21-14-15-27(18-21)16-17-30-24-9-5-4-8-23(24)19-6-2-1-3-7-19/h1-13,21,26H,14-18H2
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InChIKey
GTWOHZJMQWACQH-UHFFFAOYSA-N
Physicochemical Property
logP
3.9243
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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).

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PubChem ID
CID: 71458626
SID: 163491300
ChEMBL ID
CHEMBL2159323
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 5 nM
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