General Information of the Compound
Compound ID
CP0948249
Compound Name
5-methyl-3-phenyl-2-(1H-pyrazol-3-yl)-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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Formula
C25H18N6O
Molecular Weight
418.46
Canonical SMILES
Cc1[nH]c2c(-c3ccccc3)c(-c3cc[nH]n3)nn2c(=O)c1-c1ccc2ncccc2c1
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InChI
InChI=1S/C25H18N6O/c1-15-21(18-9-10-19-17(14-18)8-5-12-26-19)25(32)31-24(28-15)22(16-6-3-2-4-7-16)23(30-31)20-11-13-27-29-20/h2-14,28H,1H3,(H,27,29)
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InChIKey
GWSLXAHXUZNURL-UHFFFAOYSA-N
Physicochemical Property
logP
4.60332
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
91.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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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ChEMBL ID
CHEMBL4535133
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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