General Information of the Compound
Compound ID
CP0484776
Compound Name
2-[(2R)-2-methylpyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
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Structure
Formula
C17H25N3O2
Molecular Weight
303.406
Canonical SMILES
C[C@@H]1CCCN1CC(=O)Nc1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C17H25N3O2/c1-14-3-2-8-20(14)13-17(21)18-15-4-6-16(7-5-15)19-9-11-22-12-10-19/h4-7,14H,2-3,8-13H2,1H3,(H,18,21)/t14-/m1/s1
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InChIKey
MGLQSNYBCKTRAH-CQSZACIVSA-N
Physicochemical Property
logP
1.946
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 155561493
ChEMBL ID
CHEMBL4581489
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 = 1455 nM
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