General Information of the Compound
Compound ID
CP0237321
Compound Name
1-{2-[4-(5-Chloro-1-phenyl-1H-indol-3-yl)-piperidin-1-yl]-ethyl}-imidazolidin-2-one
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Structure
Formula
C24H27ClN4O
Molecular Weight
422.96
Canonical SMILES
Clc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccccc1
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InChI
InChI=1S/C24H27ClN4O/c25-19-6-7-23-21(16-19)22(17-29(23)20-4-2-1-3-5-20)18-8-11-27(12-9-18)14-15-28-13-10-26-24(28)30/h1-7,16-18H,8-15H2,(H,26,30)
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InChIKey
LZLFOPCRHMBFCG-UHFFFAOYSA-N
Physicochemical Property
logP
4.4885
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
40.51
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: 44297410
ChEMBL ID
CHEMBL443476
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 = 88 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 87.1 nM