General Information of the Compound
Compound ID
CP0385494
Compound Name
4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide
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Structure
Formula
C18H14N4O2
Molecular Weight
318.336
Canonical SMILES
Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(cc1)C(N)=O
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InChI
InChI=1S/C18H14N4O2/c1-10-8-16-20-21-18(24)22(16)15-9-13(6-7-14(10)15)11-2-4-12(5-3-11)17(19)23/h2-9H,1H3,(H2,19,23)(H,21,24)
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InChIKey
RIMYUFMZBDMRMP-UHFFFAOYSA-N
Physicochemical Property
logP
2.25012
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
93.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 49864767
ChEMBL ID
CHEMBL1222445
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 = 40 nM
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