General Information of the Compound
Compound ID
CP0496347
Compound Name
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
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Structure
Formula
C14H20N4O2S2
Molecular Weight
340.474
Canonical SMILES
CS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
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InChI
InChI=1S/C14H20N4O2S2/c1-22(19,20)17-10-5-2-4-9-16-14-18-13(11-21-14)12-7-3-6-8-15-12/h3,6-8,11,17H,2,4-5,9-10H2,1H3,(H,16,18)
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InChIKey
LFTZXAHDASJCQW-UHFFFAOYSA-N
Physicochemical Property
logP
2.3365
Rotatable Bonds
9
Heavy Atom Count
22
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 57394537
ChEMBL ID
CHEMBL1912069
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 = 530 nM
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