General Information of the Compound
Compound ID
CP0870119
Compound Name
7-(4-(((2-(2-Methoxyphenyl)cyclopropyl)methyl)amino)butoxy)-quinolin-2(1H)-one
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Formula
C24H28N2O3
Molecular Weight
392.499
Canonical SMILES
COc1ccccc1C1CC1CNCCCCOc1ccc2ccc(=O)[nH]c2c1
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InChI
InChI=1S/C24H28N2O3/c1-28-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-29-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-3,6-11,15,18,21,25H,4-5,12-14,16H2,1H3,(H,26,27)
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InChIKey
ORJVECFOFDNLOZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.089
Rotatable Bonds
10
Heavy Atom Count
29
Polar Areas
63.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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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ChEMBL ID
CHEMBL4872548
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 26.3 nM
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