General Information of the Compound
Compound ID
CP0199380
Compound Name
5-(2,5-dichlorophenyl)-N-(2,6-diethylphenyl)-2-furamide
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Structure
Formula
C21H19Cl2NO2
Molecular Weight
388.294
Canonical SMILES
CCc1cccc(CC)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
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InChI
InChI=1S/C21H19Cl2NO2/c1-3-13-6-5-7-14(4-2)20(13)24-21(25)19-11-10-18(26-19)16-12-15(22)8-9-17(16)23/h5-12H,3-4H2,1-2H3,(H,24,25)
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InChIKey
XECIGFKOOKPZGH-UHFFFAOYSA-N
Physicochemical Property
logP
6.6305
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 44607580
ChEMBL ID
CHEMBL1316334
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 = 89 nM
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