General Information of the Compound
Compound ID
CP0954940
Compound Name
5-Methoxy-4-(piperidin-1-yl)-2-(pyridin-2-yl)pyrimidine
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Structure
Formula
C15H18N4O
Molecular Weight
270.336
Canonical SMILES
COc1cnc(-c2ccccn2)nc1N1CCCCC1
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InChI
InChI=1S/C15H18N4O/c1-20-13-11-17-14(12-7-3-4-8-16-12)18-15(13)19-9-5-2-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
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InChIKey
UJYKMIQVKUODIS-UHFFFAOYSA-N
Physicochemical Property
logP
2.5375
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
51.14
Hydrogen Bond Donor Count
0
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: 51040288
SID: 117700859
ChEMBL ID
CHEMBL2070117
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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