General Information of the Compound
Compound ID
CP0382785
Compound Name
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
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Structure
Formula
C15H16N2O2S
Molecular Weight
288.372
Canonical SMILES
Cc1nc(sc1C(=O)N1CCOCC1)-c1ccccc1
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InChI
InChI=1S/C15H16N2O2S/c1-11-13(15(18)17-7-9-19-10-8-17)20-14(16-11)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
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InChIKey
JLBMVGMULMUXNW-UHFFFAOYSA-N
Physicochemical Property
logP
2.59092
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 23968873
ChEMBL ID
CHEMBL4451217
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000883 HTLA Homo sapiens (Human)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2860 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000883 HTLA Homo sapiens (Human)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS