General Information of the Compound
Compound ID
CP0501000
Compound Name
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
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Structure
Formula
C20H29N3O
Molecular Weight
327.472
Canonical SMILES
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)C2CC2)c(C)c1
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InChI
InChI=1S/C20H29N3O/c1-14-12-17(7-8-19(14)21-20(24)16-5-6-16)22-11-9-18(13-22)23-10-3-4-15(23)2/h7-8,12,15-16,18H,3-6,9-11,13H2,1-2H3,(H,21,24)
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InChIKey
JEVMXLNQHLYXIY-UHFFFAOYSA-N
Physicochemical Property
logP
3.40652
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 25264655
SID: 58099390
ChEMBL ID
CHEMBL2441647
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 = 9.6 nM
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