General Information of the Compound
Compound ID
CP0425829
Compound Name
6-(4-(allyloxy)-5-ethyl-6-methylpyrimidin-2-yl)pyridin-3-amine
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Structure
Formula
C15H18N4O
Molecular Weight
270.336
Canonical SMILES
CCc1c(C)nc(nc1OCC=C)-c1ccc(N)cn1
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InChI
InChI=1S/C15H18N4O/c1-4-8-20-15-12(5-2)10(3)18-14(19-15)13-7-6-11(16)9-17-13/h4,6-7,9H,1,5,8,16H2,2-3H3
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InChIKey
DNDWMGBJOGKNSP-UHFFFAOYSA-N
Physicochemical Property
logP
2.55642
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
73.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 25184912
SID: 57292603
ChEMBL ID
CHEMBL1269468
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
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   LI
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   TS