General Information of the Compound
Compound ID
CP0489441
Compound Name
5-methyl-8-(4-(2-morpholinoethoxy)phenyl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
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Structure
Formula
C23H24N4O3
Molecular Weight
404.47
Canonical SMILES
Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(OCCN2CCOCC2)cc1
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InChI
InChI=1S/C23H24N4O3/c1-16-14-22-24-25-23(28)27(22)21-15-18(4-7-20(16)21)17-2-5-19(6-3-17)30-13-10-26-8-11-29-12-9-26/h2-7,14-15H,8-13H2,1H3,(H,25,28)
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InChIKey
QDJLLXGMPVLYDJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.86222
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
71.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 49865298
ChEMBL ID
CHEMBL1223169
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: PT00865, Serine/threonine-protein kinase Chk1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 30 nM
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