General Information of the Compound
Compound ID
CP0445894
Compound Name
N-[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C15H20N4OS2
Molecular Weight
336.486
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1csc(NC2CCCCC2)n1
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InChI
InChI=1S/C15H20N4OS2/c1-9-13(22-15(16-9)17-10(2)20)12-8-21-14(19-12)18-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,18,19)(H,16,17,20)
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InChIKey
QJYUHPGRNQQGGG-UHFFFAOYSA-N
Physicochemical Property
logP
4.27802
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
66.91
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: 11348293
SID: 16439851
ChEMBL ID
CHEMBL4465048
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: PT01034, Phosphatidylinositol 4-kinase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8290 nM
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