General Information of the Compound
Compound ID
CP0448388
Compound Name
5-Methyl-4-phenyl-1-[1-(3-phenyl-propyl)-piperidin-4-yl]-1,3-dihydro-imidazol-2-one
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Structure
Formula
C24H29N3O
Molecular Weight
375.516
Canonical SMILES
Cc1c([nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1)-c1ccccc1
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InChI
InChI=1S/C24H29N3O/c1-19-23(21-12-6-3-7-13-21)25-24(28)27(19)22-14-17-26(18-15-22)16-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,22H,8,11,14-18H2,1H3,(H,25,28)
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InChIKey
CRYGIUKJRPGSDW-UHFFFAOYSA-N
Physicochemical Property
logP
4.42152
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
41.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 10667201
SID: 15699893
ChEMBL ID
CHEMBL327176
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 = 330 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 = 1900 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 = 5.5 nM
   TI
   LI
   LO
   TS