General Information of the Compound
Compound ID
CP0352070
Compound Name
2-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-amine
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Structure
Formula
C13H10ClN3O
Molecular Weight
259.696
Canonical SMILES
Nc1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
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InChI
InChI=1S/C13H10ClN3O/c14-9-3-5-10(6-4-9)17-13(15)8-11(16-17)12-2-1-7-18-12/h1-8H,15H2
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InChIKey
WCCFYIUYTAJWFD-UHFFFAOYSA-N
Physicochemical Property
logP
3.3679
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
56.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 43381275
ChEMBL ID
CHEMBL4761793
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: PT00940, Prostaglandin G/H synthase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000249 OVCAR-3 Homo sapiens (Human)  1
1
IC50 = 20500 nM
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