General Information of the Compound
Compound ID
CP0548045
Compound Name
[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
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Structure
Formula
C14H12Cl2N2O2S
Molecular Weight
343.235
Canonical SMILES
Clc1ccc(-c2nc(cs2)C(=O)N2CCOCC2)c(Cl)c1
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InChI
InChI=1S/C14H12Cl2N2O2S/c15-9-1-2-10(11(16)7-9)13-17-12(8-21-13)14(19)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
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InChIKey
ULOXTKHGPLPHHB-UHFFFAOYSA-N
Physicochemical Property
logP
3.5893
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 51094588
ChEMBL ID
CHEMBL4059884
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS