General Information of the Compound
Compound ID
CP0373060
Compound Name
N-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
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Structure
Formula
C23H25Cl2N3O2S
Molecular Weight
478.445
Canonical SMILES
Clc1ccc(cc1Cl)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
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InChI
InChI=1S/C23H25Cl2N3O2S/c24-22-9-7-20(17-23(22)25)28-14-12-27(13-15-28)11-3-10-26-31(29,30)21-8-6-18-4-1-2-5-19(18)16-21/h1-2,4-9,16-17,26H,3,10-15H2
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InChIKey
SBUQDLLDTGCUFS-UHFFFAOYSA-N
Physicochemical Property
logP
4.6372
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 42635387
SID: 81074435
ChEMBL ID
CHEMBL495212
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 215 nM
   TI
   LI
   LO
   TS
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 19 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 215 nM
   TI
   LI
   LO
   TS
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 768 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 124 nM
   TI
   LI
   LO
   TS