General Information of the Compound
Compound ID
CP0460398
Compound Name
5-(2,5-dichlorophenyl)-N-(2-(hydroxymethyl)-6-methylphenyl)furan-2-carboxamide
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Structure
Formula
C19H15Cl2NO3
Molecular Weight
376.239
Canonical SMILES
Cc1cccc(CO)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
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InChI
InChI=1S/C19H15Cl2NO3/c1-11-3-2-4-12(10-23)18(11)22-19(24)17-8-7-16(25-17)14-9-13(20)5-6-15(14)21/h2-9,23H,10H2,1H3,(H,22,24)
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InChIKey
TXOKYEVPAAJOFT-UHFFFAOYSA-N
Physicochemical Property
logP
5.30642
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
62.47
Hydrogen Bond Donor Count
2
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: 54585493
ChEMBL ID
CHEMBL1779900
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 = 573 nM
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