General Information of the Compound
Compound ID
CP0555819
Compound Name
1-(3-methoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
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Structure
Formula
C24H26N2O
Molecular Weight
358.485
Canonical SMILES
COc1cccc(c1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
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InChI
InChI=1S/C24H26N2O/c1-27-23-12-7-11-22(18-23)26-16-14-25(15-17-26)19-21-10-5-6-13-24(21)20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3
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InChIKey
WZFAVDDTRQICHQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.6844
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
15.71
Hydrogen Bond Donor Count
0
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: 71602584
SID: 163683719
ChEMBL ID
CHEMBL2376470
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS