General Information of the Compound
Compound ID
CP0414086
Compound Name
2-methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
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Structure
Formula
C20H17F3N2OS
Molecular Weight
390.43
Canonical SMILES
Cc1nc(Cc2cccc(c2)C(F)(F)F)sc1-c1ccc(C(N)=O)c(C)c1
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InChI
InChI=1S/C20H17F3N2OS/c1-11-8-14(6-7-16(11)19(24)26)18-12(2)25-17(27-18)10-13-4-3-5-15(9-13)20(21,22)23/h3-9H,10H2,1-2H3,(H2,24,26)
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InChIKey
UKNXMVOMSOXHFH-UHFFFAOYSA-N
Physicochemical Property
logP
5.13544
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
55.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 54670452
SID: 131466849
ChEMBL ID
CHEMBL4080724
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: PT02436, G-protein coupled receptor 52
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 73 nM
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