General Information of the Compound
Compound ID
CP0392080
Compound Name
1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one
    Show/Hide
Structure
Formula
C24H28F3N3O4
Molecular Weight
479.499
Canonical SMILES
COc1ccc(cc1OCCN1CCOCC1)N1CCN(C1=O)c1ccc(C)c(c1)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C24H28F3N3O4/c1-17-3-4-18(15-20(17)24(25,26)27)29-7-8-30(23(29)31)19-5-6-21(32-2)22(16-19)34-14-11-28-9-12-33-13-10-28/h3-6,15-16H,7-14H2,1-2H3
    Show/Hide
InChIKey
UKQLIKOYYKABPU-UHFFFAOYSA-N
Physicochemical Property
logP
4.18002
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
54.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
34

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10127968
SID: 15117530
ChEMBL ID
CHEMBL198109
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 = 3162.28 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 = 125.89 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 = 7.943 nM
   TI
   LI
   LO
   TS