General Information of the Compound
Compound ID
CP0535422
Compound Name
(6-(1-isopropylpiperidin-4-yloxy)quinolin-2-yl)(morpholino)methanone
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Structure
Formula
C22H29N3O3
Molecular Weight
383.492
Canonical SMILES
CC(C)N1CCC(CC1)Oc1ccc2nc(ccc2c1)C(=O)N1CCOCC1
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InChI
InChI=1S/C22H29N3O3/c1-16(2)24-9-7-18(8-10-24)28-19-4-6-20-17(15-19)3-5-21(23-20)22(26)25-11-13-27-14-12-25/h3-6,15-16,18H,7-14H2,1-2H3
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InChIKey
RRZUKKIIHZCGEZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9588
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
54.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 11567158
SID: 16669436
ChEMBL ID
CHEMBL561085
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)  1
1
Ki = 238 nM
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