General Information of the Compound
Compound ID
CP0484773
Compound Name
2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]acetamide;dihydrochloride
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Structure
Formula
C20H33Cl2N3O3
Molecular Weight
434.408
Canonical SMILES
Cl.Cl.CC(C)N1CCC(CC1)Oc1ccc(NC(=O)CN2CCOCC2)cc1
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InChI
InChI=1S/C20H31N3O3.2ClH/c1-16(2)23-9-7-19(8-10-23)26-18-5-3-17(4-6-18)21-20(24)15-22-11-13-25-14-12-22;;/h3-6,16,19H,7-15H2,1-2H3,(H,21,24);2*1H
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InChIKey
CGBAQHARXGJSSO-UHFFFAOYSA-N
Physicochemical Property
logP
3.0525
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
54.04
Hydrogen Bond Donor Count
1
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: 155559800
ChEMBL ID
CHEMBL4564463
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 8.3 nM
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