General Information of the Compound
Compound ID
CP0524461
Compound Name
5-(2,5-dichlorophenyl)-N-(3,5-dimethylbiphenyl-4-yl)furan-2-carboxamide
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Structure
Formula
C25H19Cl2NO2
Molecular Weight
436.338
Canonical SMILES
Cc1cc(cc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl)-c1ccccc1
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InChI
InChI=1S/C25H19Cl2NO2/c1-15-12-18(17-6-4-3-5-7-17)13-16(2)24(15)28-25(29)23-11-10-22(30-23)20-14-19(26)8-9-21(20)27/h3-14H,1-2H3,(H,28,29)
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InChIKey
XQVISYQCTFYGMZ-UHFFFAOYSA-N
Physicochemical Property
logP
7.78954
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
30

"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: 54581611
ChEMBL ID
CHEMBL1779904
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 = 115 nM
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