General Information of the Compound
Compound ID
CP0487484
Compound Name
5-(2,5-dichlorophenyl)-N-(2,5-dimethylphenyl)-2-furamide
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Structure
Formula
C19H15Cl2NO2
Molecular Weight
360.24
Canonical SMILES
Cc1ccc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c1
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InChI
InChI=1S/C19H15Cl2NO2/c1-11-3-4-12(2)16(9-11)22-19(23)18-8-7-17(24-18)14-10-13(20)5-6-15(14)21/h3-10H,1-2H3,(H,22,23)
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InChIKey
ADEIWISNTUOOEM-UHFFFAOYSA-N
Physicochemical Property
logP
6.12254
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 1114196
ChEMBL ID
CHEMBL1473443
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: PT01779, Sphingosine 1-phosphate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 165 nM
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