General Information of the Compound
Compound ID
CP0428360
Compound Name
5-(4-Chlorophenyl)-2-methyl-3-(piperidine-1-carbonyl)-1Hpyrrol-1-yl)benzenesulfonamide
    Show/Hide
Structure
Formula
C23H24ClN3O3S
Molecular Weight
457.983
Canonical SMILES
Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C23H24ClN3O3S/c1-16-21(23(28)26-13-3-2-4-14-26)15-22(17-5-7-18(24)8-6-17)27(16)19-9-11-20(12-10-19)31(25,29)30/h5-12,15H,2-4,13-14H2,1H3,(H2,25,29,30)
    Show/Hide
InChIKey
NZSTYEGRWJXQSP-UHFFFAOYSA-N
Physicochemical Property
logP
4.37962
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
85.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 24894238
SID: 53778449
ChEMBL ID
CHEMBL491945
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32 Homo sapiens (Human)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS