General Information of the Compound
Compound ID
CP0375590
Compound Name
5-(4-chloro-2-ethoxyphenyl)-N-(4-hydroxycyclohexyl)-4-methyl-1,2-oxazole-3-carboxamide
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Structure
Formula
C19H23ClN2O4
Molecular Weight
378.856
Canonical SMILES
CCOc1cc(Cl)ccc1-c1onc(C(=O)NC2CCC(O)CC2)c1C
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InChI
InChI=1S/C19H23ClN2O4/c1-3-25-16-10-12(20)4-9-15(16)18-11(2)17(22-26-18)19(24)21-13-5-7-14(23)8-6-13/h4,9-10,13-14,23H,3,5-8H2,1-2H3,(H,21,24)
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InChIKey
RCFXUCXXSRDAOX-UHFFFAOYSA-N
Physicochemical Property
logP
3.73542
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
84.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 56659764
ChEMBL ID
CHEMBL1807880
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 199.53 nM
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