General Information of the Compound
Compound ID
CP0488658
Compound Name
2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
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Structure
Formula
C19H21FN4O2S2
Molecular Weight
420.535
Canonical SMILES
Fc1ccccc1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
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InChI
InChI=1S/C19H21FN4O2S2/c20-15-8-2-3-10-18(15)28(25,26)23-13-6-1-5-12-22-19-24-17(14-27-19)16-9-4-7-11-21-16/h2-4,7-11,14,23H,1,5-6,12-13H2,(H,22,24)
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InChIKey
GGTCHICZQOKVQQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9049
Rotatable Bonds
10
Heavy Atom Count
28
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 20647096
ChEMBL ID
CHEMBL1912081
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 8 nM
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