General Information of the Compound
Compound ID
CP0955187
Compound Name
5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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Structure
Formula
C26H21N3O3
Molecular Weight
423.472
Canonical SMILES
COc1ccc(-c2c(O)n(C)c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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InChI
InChI=1S/C26H21N3O3/c1-28-24-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)27-29(24)26(31)22(25(28)30)18-13-15-20(32-2)16-14-18/h3-16,30H,1-2H3
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InChIKey
CWWYXTSFAIPNRH-UHFFFAOYSA-N
Physicochemical Property
logP
4.7482
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
68.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 134347333
ChEMBL ID
CHEMBL4518181
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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