General Information of the Compound
Compound ID
CP0378902
Compound Name
1-(3,4-dichlorophenyl)-3-[6-(pyridin-2-ylmethoxy)pyridin-3-yl]imidazolidin-2-one
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Structure
Formula
C20H16Cl2N4O2
Molecular Weight
415.28
Canonical SMILES
Clc1ccc(cc1Cl)N1CCN(C1=O)c1ccc(OCc2ccccn2)nc1
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InChI
InChI=1S/C20H16Cl2N4O2/c21-17-6-4-15(11-18(17)22)25-9-10-26(20(25)27)16-5-7-19(24-12-16)28-13-14-3-1-2-8-23-14/h1-8,11-12H,9-10,13H2
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InChIKey
DMJRERANLQMTBJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.809
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
58.56
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 44404616
ChEMBL ID
CHEMBL372810
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 6309.57 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 398.11 nM
   TI
   LI
   LO
   TS