General Information of the Compound
Compound ID
CP0483496
Compound Name
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propan-2-ylbenzamide
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Formula
C24H33N3O2
Molecular Weight
395.547
Canonical SMILES
COc1ccccc1N1CCN(CCCN(C(C)C)C(=O)c2ccccc2)CC1
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InChI
InChI=1S/C24H33N3O2/c1-20(2)27(24(28)21-10-5-4-6-11-21)15-9-14-25-16-18-26(19-17-25)22-12-7-8-13-23(22)29-3/h4-8,10-13,20H,9,14-19H2,1-3H3
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InChIKey
BABHTWLYCQUAQX-UHFFFAOYSA-N
Physicochemical Property
logP
3.7581
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
36.02
Hydrogen Bond Donor Count
0
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
CHEMBL4787658
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 823.5 nM
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