General Information of the Compound
Compound ID
CP0500999
Compound Name
2,2,3,3-tetramethyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide
    Show/Hide
Structure
Formula
C24H37N3O
Molecular Weight
383.58
Canonical SMILES
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1C
    Show/Hide
InChI
InChI=1S/C24H37N3O/c1-16-14-18(25-22(28)21-23(3,4)24(21,5)6)9-10-20(16)26-13-11-19(15-26)27-12-7-8-17(27)2/h9-10,14,17,19,21H,7-8,11-13,15H2,1-6H3,(H,25,28)
    Show/Hide
InChIKey
WXTBOKJYHOLEFC-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: 25264793
SID: 58099533
ChEMBL ID
CHEMBL2441652
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 = 65.5 nM
   TI
   LI
   LO
   TS