General Information of the Compound
Compound ID
CP0407716
Compound Name
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
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Structure
Formula
C20H18F3N3O3
Molecular Weight
405.376
Canonical SMILES
Cc1c(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cn12)C1CC1
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InChI
InChI=1S/C20H18F3N3O3/c1-12-19(13-2-3-13)25-17-9-4-14(10-26(12)17)24-18(27)11-28-15-5-7-16(8-6-15)29-20(21,22)23/h4-10,13H,2-3,11H2,1H3,(H,24,27)
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InChIKey
KFXPJPDEXBORLL-UHFFFAOYSA-N
Physicochemical Property
logP
4.43622
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
64.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 127029624
ChEMBL ID
CHEMBL3769702
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01388, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6.3 nM
   TI
   LI
   LO
   TS