General Information of the Compound
Compound ID
CP0422519
Compound Name
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
    Show/Hide
Structure
Formula
C19H27N3O
Molecular Weight
313.445
Canonical SMILES
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)C2CC2)cc1
    Show/Hide
InChI
InChI=1S/C19H27N3O/c1-14-3-2-11-22(14)18-10-12-21(13-18)17-8-6-16(7-9-17)20-19(23)15-4-5-15/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,20,23)
    Show/Hide
InChIKey
YJTLIUOYMGJKGP-UHFFFAOYSA-N
Physicochemical Property
logP
3.0981
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 25264656
SID: 58099391
ChEMBL ID
CHEMBL2441646
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: PT00577, Histamine receptor H3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 9.7 nM
   TI
   LI
   LO
   TS