General Information of the Compound
Compound ID
CP0376095
Compound Name
N-[3-(2-morpholin-4-ylethyl)-1H-indol-5-yl]naphthalene-2-sulfonamide
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Structure
Formula
C24H25N3O3S
Molecular Weight
435.549
Canonical SMILES
O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1ccc2ccccc2c1
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InChI
InChI=1S/C24H25N3O3S/c28-31(29,22-7-5-18-3-1-2-4-19(18)15-22)26-21-6-8-24-23(16-21)20(17-25-24)9-10-27-11-13-30-14-12-27/h1-8,15-17,25-26H,9-14H2
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InChIKey
GQVMAJQCWHEMNR-UHFFFAOYSA-N
Physicochemical Property
logP
3.9966
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
74.43
Hydrogen Bond Donor Count
2
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: 10203339
SID: 15201461
ChEMBL ID
CHEMBL368058
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 = 132 nM
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