General Information of the Compound
Compound ID
CP0392415
Compound Name
5-[2-ethoxy-2-[4-[(2-methylphenyl)methoxy]phenyl]ethyl]-2H-tetrazole
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Structure
Formula
C19H22N4O2
Molecular Weight
338.411
Canonical SMILES
CCOC(Cc1nnn[nH]1)c1ccc(OCc2ccccc2C)cc1
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InChI
InChI=1S/C19H22N4O2/c1-3-24-18(12-19-20-22-23-21-19)15-8-10-17(11-9-15)25-13-16-7-5-4-6-14(16)2/h4-11,18H,3,12-13H2,1-2H3,(H,20,21,22,23)
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InChIKey
RULURJHQMAHGKS-UHFFFAOYSA-N
Physicochemical Property
logP
3.40742
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
72.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 122185431
ChEMBL ID
CHEMBL3604029
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1700 nM
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