General Information of the Compound
Compound ID
CP0957148
Compound Name
4-[2-(1-piperidyl)indan-1-yl]oxybenzenesulfonamide
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Structure
Formula
C20H24N2O3S
Molecular Weight
372.49
Canonical SMILES
NS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1
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InChI
InChI=1S/C20H24N2O3S/c21-26(23,24)17-10-8-16(9-11-17)25-20-18-7-3-2-6-15(18)14-19(20)22-12-4-1-5-13-22/h2-3,6-11,19-20H,1,4-5,12-14H2,(H2,21,23,24)
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InChIKey
KPOFRWYZAASAIZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.8647
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
72.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 76775288
ChEMBL ID
CHEMBL4276693
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: PT03762, Sodium/hydrogen exchanger 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000422 OK Didelphis virginiana (North American opossum)  1
1
IC50 = 2511.89 nM
   TI
   LI
   LO
   TS
Protein ID: PT04309, Sodium/hydrogen exchanger 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000422 OK Didelphis virginiana (North American opossum)  1
1
IC50 = 3162.28 nM
   TI
   LI
   LO
   TS