General Information of the Compound
Compound ID
CP0909737
Compound Name
5-hydroxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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Formula
C25H19N3O3
Molecular Weight
409.445
Canonical SMILES
COc1ccc(-c2c(O)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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InChI
InChI=1S/C25H19N3O3/c1-31-19-14-12-17(13-15-19)21-24(29)26-23-20(16-8-4-2-5-9-16)22(27-28(23)25(21)30)18-10-6-3-7-11-18/h2-15,26,29H,1H3
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InChIKey
WTNAYGAYTPXDSV-UHFFFAOYSA-N
Physicochemical Property
logP
4.7378
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
79.62
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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
CHEMBL4543541
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: PT03001, S-adenosylmethionine synthase isoform type-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 < 100 nM
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