General Information of the Compound
Compound ID
CP0409808
Compound Name
1-[2-[5-fluoro-1-(4-fluorophenyl)indazol-3-yl]oxyethyl]imidazolidin-2-one
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Structure
Formula
C18H16F2N4O2
Molecular Weight
358.348
Canonical SMILES
Fc1ccc(cc1)-n1nc(OCCN2CCNC2=O)c2cc(F)ccc12
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InChI
InChI=1S/C18H16F2N4O2/c19-12-1-4-14(5-2-12)24-16-6-3-13(20)11-15(16)17(22-24)26-10-9-23-8-7-21-18(23)25/h1-6,11H,7-10H2,(H,21,25)
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InChIKey
XFZQCFOFMUMDFX-UHFFFAOYSA-N
Physicochemical Property
logP
2.7077
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 127046803
ChEMBL ID
CHEMBL3798073
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: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 3800 nM
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