General Information of the Compound
Compound ID
CP0944281
Compound Name
7-[(6-Methoxy-pyridin-3-yl)-morpholin-4-yl-methyl]-quinolin-8-ol
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Structure
Formula
C20H21N3O3
Molecular Weight
351.406
Canonical SMILES
COc1ccc(C(c2ccc3cccnc3c2O)N2CCOCC2)cn1
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InChI
InChI=1S/C20H21N3O3/c1-25-17-7-5-15(13-22-17)19(23-9-11-26-12-10-23)16-6-4-14-3-2-8-21-18(14)20(16)24/h2-8,13,19,24H,9-12H2,1H3
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InChIKey
HSBWKQNIUAMKKU-UHFFFAOYSA-N
Physicochemical Property
logP
2.7656
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
67.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 51352624
SID: 121271480
ChEMBL ID
CHEMBL4569558
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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