General Information of the Compound
Compound ID
CP0487787
Compound Name
1-[2-(4-chlorophenyl)acetyl]-N-[(4-chlorophenyl)methyl]-N,2-dimethylazetidine-2-carboxamide
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Structure
Formula
C21H22Cl2N2O2
Molecular Weight
405.325
Canonical SMILES
CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1ccc(Cl)cc1
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InChI
InChI=1S/C21H22Cl2N2O2/c1-21(20(27)24(2)14-16-5-9-18(23)10-6-16)11-12-25(21)19(26)13-15-3-7-17(22)8-4-15/h3-10H,11-14H2,1-2H3
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InChIKey
FVLUWMHVUGCKAU-UHFFFAOYSA-N
Physicochemical Property
logP
4.1855
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 89900324
ChEMBL ID
CHEMBL3353486
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS