General Information of the Compound
Compound ID
CP0526887
Compound Name
N-(4-chloro-2,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
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Structure
Formula
C20H24ClN3O
Molecular Weight
357.885
Canonical SMILES
Cc1cc(Cl)cc(C)c1NC(=O)CN1CCC(CC1)c1ccccn1
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InChI
InChI=1S/C20H24ClN3O/c1-14-11-17(21)12-15(2)20(14)23-19(25)13-24-9-6-16(7-10-24)18-5-3-4-8-22-18/h3-5,8,11-12,16H,6-7,9-10,13H2,1-2H3,(H,23,25)
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InChIKey
NHAFVARZNICDHJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.16994
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 16094671
SID: 24741048
ChEMBL ID
CHEMBL219392
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 = 240 nM
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