General Information of the Compound
Compound ID
CP0502791
Compound Name
5-(2,5-dichlorophenyl)-N-(4-methoxy-2-methylphenyl)furan-2-carboxamide
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Structure
Formula
C19H15Cl2NO3
Molecular Weight
376.239
Canonical SMILES
COc1ccc(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
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InChI
InChI=1S/C19H15Cl2NO3/c1-11-9-13(24-2)4-6-16(11)22-19(23)18-8-7-17(25-18)14-10-12(20)3-5-15(14)21/h3-10H,1-2H3,(H,22,23)
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InChIKey
YOARMPBZYLARAO-UHFFFAOYSA-N
Physicochemical Property
logP
5.82272
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
51.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 54581610
ChEMBL ID
CHEMBL1779896
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 = 589 nM
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