General Information of the Compound
Compound ID
CP0446192
Compound Name
N-(6-methylpyridin-2-yl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
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Structure
Formula
C20H16N6
Molecular Weight
340.39
Canonical SMILES
Cc1cccc(Nc2nc(nnc2-c2ccccc2)-c2ccccn2)n1
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InChI
InChI=1S/C20H16N6/c1-14-8-7-12-17(22-14)23-20-18(15-9-3-2-4-10-15)25-26-19(24-20)16-11-5-6-13-21-16/h2-13H,1H3,(H,22,23,24,26)
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InChIKey
JQVHDQRNZLAXIV-UHFFFAOYSA-N
Physicochemical Property
logP
4.04762
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
76.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 45099942
ChEMBL ID
CHEMBL2152032
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: PT02791, Hypoxia-inducible factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  3
1
EC50 = 5410 nM
   TI
   LI
   LO
   TS
2
EC50 = 7550 nM
   TI
   LI
   LO
   TS
3
EC50 = 22400 nM
   TI
   LI
   LO
   TS