General Information of the Compound
Compound ID
CP0946273
Compound Name
5-Methoxy-2-pyridin-2-yl-pyrimidin-4-ylamine
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Structure
Formula
C10H10N4O
Molecular Weight
202.217
Canonical SMILES
COc1cnc(-c2ccccn2)nc1N
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InChI
InChI=1S/C10H10N4O/c1-15-8-6-13-10(14-9(8)11)7-4-2-3-5-12-7/h2-6H,1H3,(H2,11,13,14)
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InChIKey
LXWQFLDHAXMCEO-UHFFFAOYSA-N
Physicochemical Property
logP
1.1294
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
73.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
15

"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: 51040497
SID: 117701073
ChEMBL ID
CHEMBL4529608
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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