General Information of the Compound
Compound ID
CP0385591
Compound Name
5-(2,5-dichlorophenyl)-N-(2-methyl-1-naphthalenyl)-2-furancarboxamide
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Structure
Formula
C22H15Cl2NO2
Molecular Weight
396.273
Canonical SMILES
Cc1ccc2ccccc2c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
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InChI
InChI=1S/C22H15Cl2NO2/c1-13-6-7-14-4-2-3-5-16(14)21(13)25-22(26)20-11-10-19(27-20)17-12-15(23)8-9-18(17)24/h2-12H,1H3,(H,25,26)
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InChIKey
FSIDBBSOOUTIGS-UHFFFAOYSA-N
Physicochemical Property
logP
6.96732
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 44607574
ChEMBL ID
CHEMBL1472539
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 = 253 nM
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