General Information of the Compound
Compound ID
CP0385966
Compound Name
4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)-2-methylpropyl]-3-piperazin-1-ylbenzenesulfonamide
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Structure
Formula
C26H33N3O4S
Molecular Weight
483.634
Canonical SMILES
COc1ccc2cccc(c2c1)C(C)(C)CNS(=O)(=O)c1ccc(OC)c(c1)N1CCNCC1
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InChI
InChI=1S/C26H33N3O4S/c1-26(2,23-7-5-6-19-8-9-20(32-3)16-22(19)23)18-28-34(30,31)21-10-11-25(33-4)24(17-21)29-14-12-27-13-15-29/h5-11,16-17,27-28H,12-15,18H2,1-4H3
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InChIKey
VNJMQJQPTRANAO-UHFFFAOYSA-N
Physicochemical Property
logP
3.5227
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
79.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 118465054
ChEMBL ID
CHEMBL3781263
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1.1 nM
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