General Information of the Compound
Compound ID
CP0381166
Compound Name
5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine
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Structure
Formula
C21H25N3O
Molecular Weight
335.451
Canonical SMILES
CCCN1CCC(COc2nc3ccccc3c3cnccc23)CC1
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InChI
InChI=1S/C21H25N3O/c1-2-11-24-12-8-16(9-13-24)15-25-21-18-7-10-22-14-19(18)17-5-3-4-6-20(17)23-21/h3-7,10,14,16H,2,8-9,11-13,15H2,1H3
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InChIKey
KFMOMAKLQSWJAC-UHFFFAOYSA-N
Physicochemical Property
logP
4.2838
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
38.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 71452073
SID: 163506675
ChEMBL ID
CHEMBL2181172
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: PT01307, 5-hydroxytryptamine receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 403 nM
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