General Information of the Compound
Compound ID
CP0502614
Compound Name
(S)-2-(4-chlorophenyl)-N-(thiazol-2-yl)propanamide
    Show/Hide
Structure
Formula
C12H11ClN2OS
Molecular Weight
266.753
Canonical SMILES
C[C@H](C(=O)Nc1nccs1)c1ccc(Cl)cc1
    Show/Hide
InChI
InChI=1S/C12H11ClN2OS/c1-8(9-2-4-10(13)5-3-9)11(16)15-12-14-6-7-17-12/h2-8H,1H3,(H,14,15,16)/t8-/m0/s1
    Show/Hide
InChIKey
BUUYHTPGJCUOIM-QMMMGPOBSA-N
Physicochemical Property
logP
3.5387
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46226333
ChEMBL ID
CHEMBL594761
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: PT04096, Free fatty acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 46000 nM
   TI
   LI
   LO
   TS