General Information of the Compound
Compound ID
CP0475166
Compound Name
N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide
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Structure
Formula
C14H22N4O2S3
Molecular Weight
374.557
Canonical SMILES
Cc1nc(C)c(s1)-c1csc(NCCCCCNS(C)(=O)=O)n1
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InChI
InChI=1S/C14H22N4O2S3/c1-10-13(22-11(2)17-10)12-9-21-14(18-12)15-7-5-4-6-8-16-23(3,19)20/h9,16H,4-8H2,1-3H3,(H,15,18)
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InChIKey
UOHHRRUERFHSGG-UHFFFAOYSA-N
Physicochemical Property
logP
3.01484
Rotatable Bonds
9
Heavy Atom Count
23
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 57399737
ChEMBL ID
CHEMBL1912075
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 = 150 nM
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   LI
   LO
   TS