General Information of the Compound
Compound ID
CP0384375
Compound Name
N-(3-methylphenyl)-2-(4-naphthalen-1-ylpiperazin-1-yl)acetamide
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Structure
Formula
C23H25N3O
Molecular Weight
359.473
Canonical SMILES
Cc1cccc(NC(=O)CN2CCN(CC2)c2cccc3ccccc23)c1
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InChI
InChI=1S/C23H25N3O/c1-18-6-4-9-20(16-18)24-23(27)17-25-12-14-26(15-13-25)22-11-5-8-19-7-2-3-10-21(19)22/h2-11,16H,12-15,17H2,1H3,(H,24,27)
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InChIKey
LEQVQRFGBPYNQZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.90892
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 155536720
ChEMBL ID
CHEMBL4473652
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 = 68329 nM
   TI
   LI
   LO
   TS
2
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 200 nM
   TI
   LI
   LO
   TS
2
Ki = 1489 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)  2
1
Ki = 1246 nM
   TI
   LI
   LO
   TS
2
Ki = 11459 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 = 108.5 nM
   TI
   LI
   LO
   TS
2
EC50 = 9212 nM
   TI
   LI
   LO
   TS
3
IC50 = 2521 nM
   TI
   LI
   LO
   TS
4
IC50 = 4252 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 1.65 nM
   TI
   LI
   LO
   TS
2
Ki = 28.4 nM
   TI
   LI
   LO
   TS