General Information of the Compound
Compound ID
CP0546223
Compound Name
4-chloro-2-fluoro-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
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Structure
Formula
C14H10ClFN4O2S
Molecular Weight
352.778
Canonical SMILES
Fc1cc(Cl)ccc1S(=O)(=O)Nc1ccnn1-c1ccccn1
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InChI
InChI=1S/C14H10ClFN4O2S/c15-10-4-5-12(11(16)9-10)23(21,22)19-14-6-8-18-20(14)13-3-1-2-7-17-13/h1-9,19H
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InChIKey
MPNSNZPKUAKLLW-UHFFFAOYSA-N
Physicochemical Property
logP
2.8606
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
76.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 90285984
ChEMBL ID
CHEMBL3342793
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: PT01658, Oxytocin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 19 nM
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