General Information of the Compound
Compound ID
CP0376104
Compound Name
N,N-diethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide
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Structure
Formula
C24H23N3O4S
Molecular Weight
449.532
Canonical SMILES
CCN(CC)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12
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InChI
InChI=1S/C24H23N3O4S/c1-3-27(4-2)24(29)23(28)20-15-25-21-13-12-17(14-19(20)21)26-32(30,31)22-11-7-9-16-8-5-6-10-18(16)22/h5-15,25-26H,3-4H2,1-2H3
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InChIKey
ULMKLQYJDRHTPP-UHFFFAOYSA-N
Physicochemical Property
logP
4.173
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
99.34
Hydrogen Bond Donor Count
2
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: 11259456
SID: 16344935
ChEMBL ID
CHEMBL179196
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 > 1000 nM
   TI
   LI
   LO
   TS