General Information of the Compound
Compound ID
CP0379367
Compound Name
N-[(4-chlorophenyl)methyl]-1-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-N,2-dimethylazetidine-2-carboxamide
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Structure
Formula
C22H23ClN4O2
Molecular Weight
410.905
Canonical SMILES
CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cnc2ccccn12
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InChI
InChI=1S/C22H23ClN4O2/c1-22(21(29)25(2)15-16-6-8-17(23)9-7-16)10-12-27(22)20(28)13-18-14-24-19-5-3-4-11-26(18)19/h3-9,11,14H,10,12-13,15H2,1-2H3
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InChIKey
JIVMYXZAPCUAQZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1798
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
57.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 118719613
ChEMBL ID
CHEMBL3353493
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
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   LI
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