General Information of the Compound
Compound ID
CP0474492
Compound Name
5-(4-Chlorophenyl)-N,N,2-trimethyl-1-(4-sulfamoylphenyl)-1H-pyrrole-3-carboxamide
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Structure
Formula
C20H20ClN3O3S
Molecular Weight
417.918
Canonical SMILES
CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
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InChI
InChI=1S/C20H20ClN3O3S/c1-13-18(20(25)23(2)3)12-19(14-4-6-15(21)7-5-14)24(13)16-8-10-17(11-9-16)28(22,26)27/h4-12H,1-3H3,(H2,22,26,27)
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InChIKey
IGXFFZGRKCCDOP-UHFFFAOYSA-N
Physicochemical Property
logP
3.45532
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
85.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 24894345
SID: 53778545
ChEMBL ID
CHEMBL475588
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
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