General Information of the Compound
Compound ID
CP0848190
Compound Name
2-cyclopentyl-N-(2-methyl-4-(2-methyl-1,3'-bipyrrolidin-1'-yl)phenyl)acetamide
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Structure
Formula
C23H35N3O
Molecular Weight
369.553
Canonical SMILES
Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)CC1CCCC1
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InChI
InChI=1S/C23H35N3O/c1-17-14-20(25-13-11-21(16-25)26-12-5-6-18(26)2)9-10-22(17)24-23(27)15-19-7-3-4-8-19/h9-10,14,18-19,21H,3-8,11-13,15-16H2,1-2H3,(H,24,27)
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InChIKey
DKVILNAQMBVZGF-UHFFFAOYSA-N
Physicochemical Property
logP
4.57682
Rotatable Bonds
5
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: 25264795
SID: 58099535
ChEMBL ID
CHEMBL2441654
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 = 8.4 nM
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