General Information of the Compound
Compound ID
CP0448813
Compound Name
N,N-dimethyl-5-(phenylsulfamoyl)-2,3-dihydroindole-1-carboxamide
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Structure
Formula
C17H19N3O3S
Molecular Weight
345.424
Canonical SMILES
CN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C17H19N3O3S/c1-19(2)17(21)20-11-10-13-12-15(8-9-16(13)20)24(22,23)18-14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3
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InChIKey
XXXITHRFEANWNW-UHFFFAOYSA-N
Physicochemical Property
logP
2.5315
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
69.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 44298700
ChEMBL ID
CHEMBL301202
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: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 9000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7000 nM
   TI
   LI
   LO
   TS