General Information of the Compound
Compound ID
CP0220627
Compound Name
6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
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Structure
Formula
C26H35N3O
Molecular Weight
405.586
Canonical SMILES
O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
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InChI
InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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InChIKey
OPNMLXKOFJADTH-UHFFFAOYSA-N
Physicochemical Property
logP
4.5628
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
35.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 11431530
ChEMBL ID
CHEMBL222188
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: PT01746, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 65.6 nM
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