General Information of the Compound
Compound ID
CP0395705
Compound Name
2-(3-fluoro-5-pyridin-3-yloxyphenyl)isoindole-1,3-dione
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Structure
Formula
C19H11FN2O3
Molecular Weight
334.306
Canonical SMILES
Fc1cc(Oc2cccnc2)cc(c1)N1C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C19H11FN2O3/c20-12-8-13(10-15(9-12)25-14-4-3-7-21-11-14)22-18(23)16-5-1-2-6-17(16)19(22)24/h1-11H
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InChIKey
JAZZEFQCRQLXCJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8136
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
59.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 46908122
SID: 99368921
ChEMBL ID
CHEMBL3963275
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: PT04427, Free fatty acid receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 5011.87 nM
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