General Information of the Compound
Compound ID
CP0555212
Compound Name
N-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-2-morpholin-4-ylacetamide
    Show/Hide
Structure
Formula
C18H27N3O2
Molecular Weight
317.433
Canonical SMILES
C[C@@H]1CCCN1Cc1ccc(NC(=O)CN2CCOCC2)cc1
    Show/Hide
InChI
InChI=1S/C18H27N3O2/c1-15-3-2-8-21(15)13-16-4-6-17(7-5-16)19-18(22)14-20-9-11-23-12-10-20/h4-7,15H,2-3,8-14H2,1H3,(H,19,22)/t15-/m1/s1
    Show/Hide
InChIKey
RMCVLSCIPMESKZ-OAHLLOKOSA-N
Physicochemical Property
logP
1.9416
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155520394
ChEMBL ID
CHEMBL4448885
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 = 3572 nM
   TI
   LI
   LO
   TS