General Information of the Compound
Compound ID
CP0404508
Compound Name
6-(5-cyanopyridin-3-yl)oxy-N-(5-fluoropyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
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Structure
Formula
C18H10FN7O2
Molecular Weight
375.323
Canonical SMILES
Fc1ccc(NC(=O)c2cc(Oc3cncc(c3)C#N)cn3ncnc23)nc1
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InChI
InChI=1S/C18H10FN7O2/c19-12-1-2-16(22-7-12)25-18(27)15-4-14(9-26-17(15)23-10-24-26)28-13-3-11(5-20)6-21-8-13/h1-4,6-10H,(H,22,25,27)
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InChIKey
YBGLHLCNFQCUEF-UHFFFAOYSA-N
Physicochemical Property
logP
2.57468
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
118.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
28

"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: 118104096
ChEMBL ID
CHEMBL4089606
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: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3290 nM
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