General Information of the Compound
Compound ID
CP0456446
Compound Name
[2-(2,3-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
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Structure
Formula
C15H14Cl2N2O2S
Molecular Weight
357.262
Canonical SMILES
Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
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InChI
InChI=1S/C15H14Cl2N2O2S/c1-9-13(15(20)19-5-7-21-8-6-19)22-14(18-9)10-3-2-4-11(16)12(10)17/h2-4H,5-8H2,1H3
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InChIKey
IXAXEXIXARPUQP-UHFFFAOYSA-N
Physicochemical Property
logP
3.89772
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 137646874
ChEMBL ID
CHEMBL4080787
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