General Information of the Compound
Compound ID
CP0905229
Compound Name
2,2,3,3-tetramethyl-N-(2-methyl-4-(2-methyl-1,3'-bipyrrolidin-1'-yl)phenyl)cyclopropanecarboxamide
    Show/Hide
Structure
Formula
C24H37N3O
Molecular Weight
383.58
Canonical SMILES
Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)C1C(C)(C)C1(C)C
    Show/Hide
InChI
InChI=1S/C24H37N3O/c1-16-14-18(26-13-11-19(15-26)27-12-7-8-17(27)2)9-10-20(16)25-22(28)21-23(3,4)24(21,5)6/h9-10,14,17,19,21H,7-8,11-13,15H2,1-6H3,(H,25,28)
    Show/Hide
InChIKey
CJJRTJUBMZIMQU-UHFFFAOYSA-N
Physicochemical Property
logP
4.67872
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 25264659
SID: 58099394
ChEMBL ID
CHEMBL2441651
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 = 37.3 nM
   TI
   LI
   LO
   TS