General Information of the Compound
Compound ID
CP0514464
Compound Name
8-(1H-imidazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
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Structure
Formula
C14H11N5O
Molecular Weight
265.276
Canonical SMILES
Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1c[nH]cn1
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InChI
InChI=1S/C14H11N5O/c1-8-4-13-17-18-14(20)19(13)12-5-9(2-3-10(8)12)11-6-15-7-16-11/h2-7H,1H3,(H,15,16)(H,18,20)
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InChIKey
HLONSMJEWKMJRV-UHFFFAOYSA-N
Physicochemical Property
logP
1.87432
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
78.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 49865547
ChEMBL ID
CHEMBL1223529
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 = 160 nM
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