General Information of the Compound
Compound ID
CP0376536
Compound Name
N-(5-fluoropyridin-2-yl)-2H-triazole-4-carboxamide
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Structure
Formula
C8H6FN5O
Molecular Weight
207.168
Canonical SMILES
Fc1ccc(NC(=O)c2cn[nH]n2)nc1
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InChI
InChI=1S/C8H6FN5O/c9-5-1-2-7(10-3-5)12-8(15)6-4-11-14-13-6/h1-4H,(H,10,12,15)(H,11,13,14)
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InChIKey
UYHNPGUNOVSWSE-UHFFFAOYSA-N
Physicochemical Property
logP
0.5911
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 16663197
SID: 26523171
ChEMBL ID
CHEMBL3604176
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: PT01052, Polyunsaturated fatty acid lipoxygenase ALOX15
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000461 L-1236 Homo sapiens (Human)  1
1
IC50 = 3110 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3965 nM
   TI
   LI
   LO
   TS