General Information of the Compound
Compound ID
CP0520781
Compound Name
5-methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
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Structure
Formula
C16H13N3O2
Molecular Weight
279.299
Canonical SMILES
COc1cnc(nc1Oc1ccccc1)-c1ccccn1
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InChI
InChI=1S/C16H13N3O2/c1-20-14-11-18-15(13-9-5-6-10-17-13)19-16(14)21-12-7-3-2-4-8-12/h2-11H,1H3
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InChIKey
SBZUPWOCVDOWPP-UHFFFAOYSA-N
Physicochemical Property
logP
3.3395
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
57.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 3849120
SID: 117701901
ChEMBL ID
CHEMBL1388295
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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