General Information of the Compound
Compound ID
CP0568792
Compound Name
2-chloro-4-ethoxy-5-morpholin-4-yl-N-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]benzamide
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Structure
Formula
C23H23ClN4O4S
Molecular Weight
486.981
Canonical SMILES
CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1ncc(s1)-c1ccccc1
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InChI
InChI=1S/C23H23ClN4O4S/c1-2-32-19-13-17(24)16(12-18(19)28-8-10-31-11-9-28)21(29)26-22(30)27-23-25-14-20(33-23)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H2,25,26,27,29,30)
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InChIKey
MZNISHKQAKRHPP-UHFFFAOYSA-N
Physicochemical Property
logP
4.6607
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
92.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 156013464
ChEMBL ID
CHEMBL4639430
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: PT04871, Hydroxycarboxylic acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 103 nM
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