General Information of the Compound
Compound ID
CP0502020
Compound Name
(2R)-2-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidine
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Structure
Formula
C17H21N
Molecular Weight
239.362
Canonical SMILES
C[C@@H]1CCCN1CCc1ccc2ccccc2c1
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InChI
InChI=1S/C17H21N/c1-14-5-4-11-18(14)12-10-15-8-9-16-6-2-3-7-17(16)13-15/h2-3,6-9,13-14H,4-5,10-12H2,1H3/t14-/m1/s1
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InChIKey
PSTMOSWQMHZABO-CQSZACIVSA-N
Physicochemical Property
logP
3.8666
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 44455918
ChEMBL ID
CHEMBL441903
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1.3 nM
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