General Information of the Compound
Compound ID
CP0487112
Compound Name
1-[5-(3-cyclopentylpropyl)-1,2,4-oxadiazol-3-yl]-N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
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Structure
Formula
C24H28N4O3S
Molecular Weight
452.58
Canonical SMILES
O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1noc(CCCC2CCCC2)n1
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InChI
InChI=1S/C24H28N4O3S/c29-32(30,27-20-10-2-1-3-11-20)21-13-14-22-19(17-21)15-16-28(22)24-25-23(31-26-24)12-6-9-18-7-4-5-8-18/h1-3,10-11,13-14,17-18,27H,4-9,12,15-16H2
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InChIKey
SLJFXQAJFZVKPI-UHFFFAOYSA-N
Physicochemical Property
logP
5.0775
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
88.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 44298314
ChEMBL ID
CHEMBL295502
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 = 330 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 = 42 nM
   TI
   LI
   LO
   TS