General Information of the Compound
Compound ID
CP0432386
Compound Name
5-(4-Chlorophenyl)-2-methyl-3-(morpholine-1-carbonyl)-1Hpyrrol-1-yl)benzenesulfonamide
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Structure
Formula
C22H22ClN3O4S
Molecular Weight
459.955
Canonical SMILES
Cc1c(cc(-c2ccc(Cl)cc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCOCC1
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InChI
InChI=1S/C22H22ClN3O4S/c1-15-20(22(27)25-10-12-30-13-11-25)14-21(16-2-4-17(23)5-3-16)26(15)18-6-8-19(9-7-18)31(24,28)29/h2-9,14H,10-13H2,1H3,(H2,24,28,29)
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InChIKey
HMEWCPMLOGEQHX-UHFFFAOYSA-N
Physicochemical Property
logP
3.22592
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
94.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 24894236
SID: 53778447
ChEMBL ID
CHEMBL490557
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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