General Information of the Compound
Compound ID
CP0395786
Compound Name
1-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-dimethylmethanamine
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Structure
Formula
C16H18ClNO
Molecular Weight
275.779
Canonical SMILES
COc1ccccc1-c1cc(CN(C)C)ccc1Cl
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InChI
InChI=1S/C16H18ClNO/c1-18(2)11-12-8-9-15(17)14(10-12)13-6-4-5-7-16(13)19-3/h4-10H,11H2,1-3H3
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InChIKey
GROYHNLGVCIQOI-UHFFFAOYSA-N
Physicochemical Property
logP
4.0772
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 134138168
ChEMBL ID
CHEMBL3931889
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 18 nM
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