General Information of the Compound
Compound ID
CP0377325
Compound Name
1-[1-(3-Methoxy-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
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Structure
Formula
C23H27N3O2
Molecular Weight
377.488
Canonical SMILES
COc1cccc(CN2CCC(CC2)n2c(C)c([nH]c2=O)-c2ccccc2)c1
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InChI
InChI=1S/C23H27N3O2/c1-17-22(19-8-4-3-5-9-19)24-23(27)26(17)20-11-13-25(14-12-20)16-18-7-6-10-21(15-18)28-2/h3-10,15,20H,11-14,16H2,1-2H3,(H,24,27)
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InChIKey
SVAAEZGFWVDPDN-UHFFFAOYSA-N
Physicochemical Property
logP
3.99752
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
50.26
Hydrogen Bond Donor Count
1
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: 10547607
SID: 15574608
ChEMBL ID
CHEMBL91155
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 900 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 3900 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.64 nM
   TI
   LI
   LO
   TS