General Information of the Compound
Compound ID
CP0487588
Compound Name
6-(2-chloro-4-ethoxy-5-morpholin-4-ylphenyl)-3-[5-(2-methoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1H-pyridin-2-one
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Structure
Formula
C26H29ClN4O5S
Molecular Weight
545.061
Canonical SMILES
CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3CCN(Cc3s2)C(=O)COC)c(=O)[nH]1
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InChI
InChI=1S/C26H29ClN4O5S/c1-3-36-22-13-18(27)17(12-21(22)30-8-10-35-11-9-30)19-5-4-16(25(33)28-19)26-29-20-6-7-31(14-23(20)37-26)24(32)15-34-2/h4-5,12-13H,3,6-11,14-15H2,1-2H3,(H,28,33)
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InChIKey
WQFBUOISXTVBKZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5852
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
96.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
37

"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: 156011618
ChEMBL ID
CHEMBL4638263
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: PT01155, Growth hormone secretagogue receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
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 = 75 nM
   TI
   LI
   LO
   TS