General Information of the Compound
Compound ID
CP0893595
Compound Name
N-(4-(4-(3-chlorophenyl)piperazin-1-yl)butyl)naphthalene-1-sulfonamide hydrochloride
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Structure
Formula
C24H29Cl2N3O2S
Molecular Weight
494.488
Canonical SMILES
Cl.O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2ccccc12
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InChI
InChI=1S/C24H28ClN3O2S.ClH/c25-21-9-6-10-22(19-21)28-17-15-27(16-18-28)14-4-3-13-26-31(29,30)24-12-5-8-20-7-1-2-11-23(20)24;/h1-2,5-12,19,26H,3-4,13-18H2;1H
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InChIKey
SREBUNVCUQHAKE-UHFFFAOYSA-N
Physicochemical Property
logP
4.7957
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 57391623
ChEMBL ID
CHEMBL1949972
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 127 nM
   TI
   LI
   LO
   TS
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 = 36 nM
   TI
   LI
   LO
   TS