General Information of the Compound
Compound ID
CP0565153
Compound Name
4-[5-propanoyl-2-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]benzenesulfonamide
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Formula
C18H15F3N4O3S
Molecular Weight
424.404
Canonical SMILES
CCC(=O)c1cc(-c2ccc(cc2)S(N)(=O)=O)n(n1)-c1ccc(cn1)C(F)(F)F
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InChI
InChI=1S/C18H15F3N4O3S/c1-2-16(26)14-9-15(11-3-6-13(7-4-11)29(22,27)28)25(24-14)17-8-5-12(10-23-17)18(19,20)21/h3-10H,2H2,1H3,(H2,22,27,28)
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InChIKey
KFHSCFCKJWHGJY-UHFFFAOYSA-N
Physicochemical Property
logP
3.1932
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
107.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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
CHEMBL4759542
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 = 5900 nM
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