General Information of the Compound
Compound ID
CP0127531
Compound Name
(6-(1-isopropylpiperidin-4-yloxy)naphthalen-2-yl)(morpholino)methanone
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Structure
Formula
C23H30N2O3
Molecular Weight
382.504
Canonical SMILES
CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCOCC1
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InChI
InChI=1S/C23H30N2O3/c1-17(2)24-9-7-21(8-10-24)28-22-6-5-18-15-20(4-3-19(18)16-22)23(26)25-11-13-27-14-12-25/h3-6,15-17,21H,7-14H2,1-2H3
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InChIKey
WPBLHQJDLOPHGT-UHFFFAOYSA-N
Physicochemical Property
logP
3.5638
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
42.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 44249906
SID: 85283813
ChEMBL ID
CHEMBL541483
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 17 nM
   TI
   LI
   LO
   TS
2
Ki = 40 nM
   TI
   LI
   LO
   TS