General Information of the Compound
Compound ID
CP0362267
Compound Name
5-(furan-2-yl)-2-(4-methoxyphenyl)pyrazol-3-amine
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Structure
Formula
C14H13N3O2
Molecular Weight
255.277
Canonical SMILES
COc1ccc(cc1)-n1nc(cc1N)-c1ccco1
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InChI
InChI=1S/C14H13N3O2/c1-18-11-6-4-10(5-7-11)17-14(15)9-12(16-17)13-3-2-8-19-13/h2-9H,15H2,1H3
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InChIKey
LLZZRIPYAFNCRW-UHFFFAOYSA-N
Physicochemical Property
logP
2.7231
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
66.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 63173008
ChEMBL ID
CHEMBL4755592
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 = 5400 nM
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