General Information of the Compound
Compound ID
CP0445991
Compound Name
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(m-tolyl)acetamide
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Structure
Formula
C20H24N2O2
Molecular Weight
324.424
Canonical SMILES
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccc(O)cc2)c1
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InChI
InChI=1S/C20H24N2O2/c1-15-3-2-4-18(13-15)21-20(24)14-22-11-9-17(10-12-22)16-5-7-19(23)8-6-16/h2-8,13,17,23H,9-12,14H2,1H3,(H,21,24)
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InChIKey
JSBFBUOGZBXOJH-UHFFFAOYSA-N
Physicochemical Property
logP
3.51872
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
52.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 16094670
SID: 24741047
ChEMBL ID
CHEMBL219966
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: PT01161, D(4) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 70 nM
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