General Information of the Compound
Compound ID
CP0378309
Compound Name
N-methyl-5-(phenylsulfamoyl)-2,3-dihydroindole-1-carboxamide
    Show/Hide
Structure
Formula
C16H17N3O3S
Molecular Weight
331.397
Canonical SMILES
CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
    Show/Hide
InChI
InChI=1S/C16H17N3O3S/c1-17-16(20)19-10-9-12-11-14(7-8-15(12)19)23(21,22)18-13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3,(H,17,20)
    Show/Hide
InChIKey
RWKCTZZBGCWHCD-UHFFFAOYSA-N
Physicochemical Property
logP
2.1893
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
78.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44298761
ChEMBL ID
CHEMBL54885
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 = 100000 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 = 7300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01493, Beta-3 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 55 nM
   TI
   LI
   LO
   TS