General Information of the Compound
Compound ID
CP0373649
Compound Name
2-(5-aminopyridin-2-yl)-5-benzyl-6-methylpyrimidin-4-ol
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Structure
Formula
C17H16N4O
Molecular Weight
292.342
Canonical SMILES
Cc1nc([nH]c(=O)c1Cc1ccccc1)-c1ccc(N)cn1
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InChI
InChI=1S/C17H16N4O/c1-11-14(9-12-5-3-2-4-6-12)17(22)21-16(20-11)15-8-7-13(18)10-19-15/h2-8,10H,9,18H2,1H3,(H,20,21,22)
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InChIKey
SSUVZQUMUSIYGV-UHFFFAOYSA-N
Physicochemical Property
logP
2.31332
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
84.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 135909414
SID: 57292600
ChEMBL ID
CHEMBL1271811
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