General Information of the Compound
Compound ID
CP0383862
Compound Name
2,2-bis(4-chlorophenyl)-N-(thiazol-2-yl)acetamide
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Structure
Formula
C17H12Cl2N2OS
Molecular Weight
363.269
Canonical SMILES
Clc1ccc(cc1)C(C(=O)Nc1nccs1)c1ccc(Cl)cc1
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InChI
InChI=1S/C17H12Cl2N2OS/c18-13-5-1-11(2-6-13)15(12-3-7-14(19)8-4-12)16(22)21-17-20-9-10-23-17/h1-10,15H,(H,20,21,22)
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InChIKey
XABDVRNYFPCRAQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2205
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 46226357
ChEMBL ID
CHEMBL594739
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 > 100000 nM
   TI
   LI
   LO
   TS