General Information of the Compound
Compound ID
CP0378116
Compound Name
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thienyl)-2-furamide
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Structure
Formula
C18H17NO2S
Molecular Weight
311.406
Canonical SMILES
Cc1cscc1-c1ccc(o1)C(=O)Nc1c(C)cccc1C
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InChI
InChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)17(11)19-18(20)16-8-7-15(21-16)14-10-22-9-13(14)3/h4-10H,1-3H3,(H,19,20)
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InChIKey
FKENMOWHEIWXNR-UHFFFAOYSA-N
Physicochemical Property
logP
5.18566
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 44607581
ChEMBL ID
CHEMBL1393993
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 = 286 nM
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