General Information of the Compound
Compound ID
CP0298427
Compound Name
1-(2-{4-[1-(4-Fluoro-phenyl)-2,3-dihydro-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
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Structure
Formula
C24H29FN4O
Molecular Weight
408.521
Canonical SMILES
Fc1ccc(cc1)N1CC(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
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InChI
InChI=1S/C24H29FN4O/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,18,22H,9-17H2,(H,26,30)
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InChIKey
MJIFNEGWZJIOKW-UHFFFAOYSA-N
Physicochemical Property
logP
3.7982
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
38.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 44297171
ChEMBL ID
CHEMBL556312
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 23.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 23.44 nM