General Information of the Compound
Compound ID
CP0533510
Compound Name
1-Methyl-N-(methylsulfonyl)-3-phenyl-1H-indole-6-carboxamide
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Structure
Formula
C17H16N2O3S
Molecular Weight
328.393
Canonical SMILES
Cn1cc(-c2ccccc2)c2ccc(cc12)C(=O)NS(C)(=O)=O
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InChI
InChI=1S/C17H16N2O3S/c1-19-11-15(12-6-4-3-5-7-12)14-9-8-13(10-16(14)19)17(20)18-23(2,21)22/h3-11H,1-2H3,(H,18,20)
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InChIKey
YTBSWKZXZGXSBM-UHFFFAOYSA-N
Physicochemical Property
logP
2.5347
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
68.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 132020408
ChEMBL ID
CHEMBL4454371
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 740 nM
   TI
   LI
   LO
   TS