General Information of the Compound
Compound ID
CP0910114
Compound Name
5-Methoxy-4-(4-methyl-piperazin-1-yl)-2-pyridin-2-yl-pyrimidine
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Structure
Formula
C15H19N5O
Molecular Weight
285.351
Canonical SMILES
COc1cnc(-c2ccccn2)nc1N1CCN(C)CC1
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InChI
InChI=1S/C15H19N5O/c1-19-7-9-20(10-8-19)15-13(21-2)11-17-14(18-15)12-5-3-4-6-16-12/h3-6,11H,7-10H2,1-2H3
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InChIKey
NJMDYQULQGQEIF-UHFFFAOYSA-N
Physicochemical Property
logP
1.299
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
54.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 1470841
SID: 117701692
ChEMBL ID
CHEMBL4458195
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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