General Information of the Compound
Compound ID
CP0384369
Compound Name
2-(4-phenylpiperidin-1-yl)-N-(m-tolyl)acetamide
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Structure
Formula
C20H24N2O
Molecular Weight
308.425
Canonical SMILES
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2)c1
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InChI
InChI=1S/C20H24N2O/c1-16-6-5-9-19(14-16)21-20(23)15-22-12-10-18(11-13-22)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H,21,23)
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InChIKey
ZMEYWYCGMCZGRN-UHFFFAOYSA-N
Physicochemical Property
logP
3.81312
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 16094666
SID: 24741043
ChEMBL ID
CHEMBL216393
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 7692 nM
   TI
   LI
   LO
   TS
2
IC50 = 16447 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 127 nM
   TI
   LI
   LO
   TS
2
Ki = 821 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 433 nM
   TI
   LI
   LO
   TS
2
Ki = 777 nM
   TI
   LI
   LO
   TS
Protein ID: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  4
1
EC50 = 15.4 nM
   TI
   LI
   LO
   TS
2
EC50 = 242 nM
   TI
   LI
   LO
   TS
3
IC50 = 2 nM
   TI
   LI
   LO
   TS
4
IC50 = 135 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 170 nM
   TI
   LI
   LO
   TS
2
Ki = 1.4 nM
   TI
   LI
   LO
   TS
3
Ki = 25.8 nM
   TI
   LI
   LO
   TS