General Information of the Compound
Compound ID
CP0373648
Compound Name
2-(5-aminopyridin-2-yl)-5-ethyl-6-methylpyrimidin-4-ol
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Structure
Formula
C12H14N4O
Molecular Weight
230.271
Canonical SMILES
CCc1c(C)nc([nH]c1=O)-c1ccc(N)cn1
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InChI
InChI=1S/C12H14N4O/c1-3-9-7(2)15-11(16-12(9)17)10-5-4-8(13)6-14-10/h4-6H,3,13H2,1-2H3,(H,15,16,17)
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InChIKey
AGQQOGJNPUDIRH-UHFFFAOYSA-N
Physicochemical Property
logP
1.28492
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
84.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 135909421
SID: 57292662
ChEMBL ID
CHEMBL1269396
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
CL000118 U-251MG Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS