General Information of the Compound
Compound ID
CP0876844
Compound Name
5-methoxy-2-(pyridin-2-yl)pyrimidine
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Structure
Formula
C10H9N3O
Molecular Weight
187.202
Canonical SMILES
COc1cnc(-c2ccccn2)nc1
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InChI
InChI=1S/C10H9N3O/c1-14-8-6-12-10(13-7-8)9-4-2-3-5-11-9/h2-7H,1H3
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InChIKey
LUOJIXRPLZJLRD-UHFFFAOYSA-N
Physicochemical Property
logP
1.5472
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
47.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 51042239
SID: 117702859
ChEMBL ID
CHEMBL4450137
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: PT06765, Hepcidin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 > 50000 nM
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