General Information of the Compound
Compound ID
CP0845920
Compound Name
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-2-ol
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Structure
Formula
C17H27NO2
Molecular Weight
277.408
Canonical SMILES
CC(C)(O)c1ccc(OCCCN2CCCCC2)cc1
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InChI
InChI=1S/C17H27NO2/c1-17(2,19)15-7-9-16(10-8-15)20-14-6-13-18-11-4-3-5-12-18/h7-10,19H,3-6,11-14H2,1-2H3
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InChIKey
XBLURIQANFBESB-UHFFFAOYSA-N
Physicochemical Property
logP
3.1688
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 71601549
SID: 163682559
ChEMBL ID
CHEMBL2375590
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 6.8 nM
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