General Information of the Compound
Compound ID
CP0438421
Compound Name
1-[5-(4''-Chloro-biphenyl-4-yloxy)-pentyl]-3-pyridin-4-yl-imidazolidin-2-one
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Structure
Formula
C25H26ClN3O2
Molecular Weight
435.955
Canonical SMILES
Clc1ccc(cc1)-c1ccc(OCCCCCN2CCN(C2=O)c2ccncc2)cc1
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InChI
InChI=1S/C25H26ClN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2
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InChIKey
WXSUPRFKEUWQEL-UHFFFAOYSA-N
Physicochemical Property
logP
5.8933
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
45.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 493093
SID: 14982956
ChEMBL ID
CHEMBL45426
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: PT06427, Genome polyprotein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000264 RD Homo sapiens (Human)  1
1
EC50 = 91 nM
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