General Information of the Compound
Compound ID
CP0571143
Compound Name
4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide
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Formula
C19H17FN2O3S
Molecular Weight
372.421
Canonical SMILES
CCC(=O)c1cc(c([nH]1)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
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InChI
InChI=1S/C19H17FN2O3S/c1-2-18(23)17-11-16(12-3-7-14(20)8-4-12)19(22-17)13-5-9-15(10-6-13)26(21,24)25/h3-11,22H,2H2,1H3,(H2,21,24,25)
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InChIKey
ZYVNYCXPTDQFIH-UHFFFAOYSA-N
Physicochemical Property
logP
3.7279
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
93.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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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ChEMBL ID
CHEMBL4781954
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 900 nM
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