General Information of the Compound
Compound ID
CP0488296
Compound Name
5-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)-4-methylfuran-2-carboxamide
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Structure
Formula
C22H23NO2
Molecular Weight
333.431
Canonical SMILES
Cc1cc(oc1-c1cc(C)ccc1C)C(=O)Nc1c(C)cccc1C
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InChI
InChI=1S/C22H23NO2/c1-13-9-10-14(2)18(11-13)21-17(5)12-19(25-21)22(24)23-20-15(3)7-6-8-16(20)4/h6-12H,1-5H3,(H,23,24)
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InChIKey
JHPJKQZPLHLCPD-UHFFFAOYSA-N
Physicochemical Property
logP
5.741
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
42.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 56679130
ChEMBL ID
CHEMBL1824258
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 = 911 nM
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