General Information of the Compound
Compound ID
CP0407021
Compound Name
2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide
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Structure
Formula
C23H35N3O
Molecular Weight
369.553
Canonical SMILES
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1
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InChI
InChI=1S/C23H35N3O/c1-16-7-6-13-26(16)19-12-14-25(15-19)18-10-8-17(9-11-18)24-21(27)20-22(2,3)23(20,4)5/h8-11,16,19-20H,6-7,12-15H2,1-5H3,(H,24,27)
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InChIKey
ZETKRQDDYKMOPO-UHFFFAOYSA-N
Physicochemical Property
logP
4.3703
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 25264792
SID: 58099532
ChEMBL ID
CHEMBL2441650
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 = 143.8 nM
   TI
   LI
   LO
   TS