General Information of the Compound
Compound ID
CP0942215
Compound Name
Isopropyl-[5-methoxy-2-(5-methoxy-pyridin-2-yl)-pyrimidin-4-yl]-amine
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Structure
Formula
C14H18N4O2
Molecular Weight
274.324
Canonical SMILES
COc1ccc(-c2ncc(OC)c(NC(C)C)n2)nc1
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InChI
InChI=1S/C14H18N4O2/c1-9(2)17-14-12(20-4)8-16-13(18-14)11-6-5-10(19-3)7-15-11/h5-9H,1-4H3,(H,16,17,18)
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InChIKey
ANFZFONBTIMIIH-UHFFFAOYSA-N
Physicochemical Property
logP
2.3761
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
69.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 51040289
SID: 117700861
ChEMBL ID
CHEMBL4454125
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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