General Information of the Compound
Compound ID
CP0438633
Compound Name
N-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-(trifluoromethyl)phenyl]-2-morpholin-4-ylacetamide
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Structure
Formula
C22H30F3N3O3
Molecular Weight
441.494
Canonical SMILES
FC(F)(F)c1cc(OC2CCN(CC2)C2CCC2)ccc1NC(=O)CN1CCOCC1
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InChI
InChI=1S/C22H30F3N3O3/c23-22(24,25)19-14-18(31-17-6-8-28(9-7-17)16-2-1-3-16)4-5-20(19)26-21(29)15-27-10-12-30-13-11-27/h4-5,14,16-17H,1-3,6-13,15H2,(H,26,29)
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InChIKey
DSPCHVDSEGOQLK-UHFFFAOYSA-N
Physicochemical Property
logP
3.3718
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
54.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 60196981
SID: 144214624
ChEMBL ID
CHEMBL4441165
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 = 75.8 nM
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