General Information of the Compound
Compound ID
CP0083349
Compound Name
2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxamide
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Structure
Formula
C10H10N2O2S
Molecular Weight
222.269
Canonical SMILES
NC(=O)C1CSC(=N1)c1ccccc1O
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InChI
InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
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InChIKey
CMXJVCRUSKHTHR-UHFFFAOYSA-N
Physicochemical Property
logP
0.7395
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
75.68
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 136030693
SID: 111327568
ChEMBL ID
CHEMBL1651092
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: PT01202, 5-hydroxytryptamine receptor 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki > 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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 1300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1260 nM