General Information of the Compound
Compound ID
CP0120907
Compound Name
4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine
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Structure
Formula
C19H17N3O3S
Molecular Weight
367.43
Canonical SMILES
C(N1CCOCC1)c1coc2cc(Oc3nc4ncccc4s3)ccc12
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InChI
InChI=1S/C19H17N3O3S/c1-2-17-18(20-5-1)21-19(26-17)25-14-3-4-15-13(12-24-16(15)10-14)11-22-6-8-23-9-7-22/h1-5,10,12H,6-9,11H2
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InChIKey
VYTSLRHFZVVVTL-UHFFFAOYSA-N
Physicochemical Property
logP
4.062
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
60.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 59577598
SID: 163513220
ChEMBL ID
CHEMBL2313565
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: PT02129, Leukotriene A-4 hydrolase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 25 nM
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