General Information of the Compound
Compound ID
CP0541024
Compound Name
N-(2,3-dimethyl-1-benzofuran-5-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
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Structure
Formula
C19H16F3NO4
Molecular Weight
379.334
Canonical SMILES
Cc1oc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc2c1C
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InChI
InChI=1S/C19H16F3NO4/c1-11-12(2)26-17-8-3-13(9-16(11)17)23-18(24)10-25-14-4-6-15(7-5-14)27-19(20,21)22/h3-9H,10H2,1-2H3,(H,23,24)
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InChIKey
DGZDPCUJTJWYIU-UHFFFAOYSA-N
Physicochemical Property
logP
4.96574
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
60.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 127029630
ChEMBL ID
CHEMBL3769548
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: 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 > 1000 nM
   TI
   LI
   LO
   TS
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 > 1000 nM
   TI
   LI
   LO
   TS