General Information of the Compound
Compound ID
CP0388726
Compound Name
N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide
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Structure
Formula
C16H26N4O2S3
Molecular Weight
402.611
Canonical SMILES
CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1sc(C)nc1C
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InChI
InChI=1S/C16H26N4O2S3/c1-11(2)25(21,22)18-9-7-5-6-8-17-16-20-14(10-23-16)15-12(3)19-13(4)24-15/h10-11,18H,5-9H2,1-4H3,(H,17,20)
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InChIKey
CSUGCPWZZFOQDN-UHFFFAOYSA-N
Physicochemical Property
logP
3.79344
Rotatable Bonds
10
Heavy Atom Count
25
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 57398068
ChEMBL ID
CHEMBL1909721
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 = 34 nM
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   LI
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