General Information of the Compound
Compound ID
CP0931316
Compound Name
7-(Morpholin-4-yl-pyridin-4-yl-methyl)-quinolin-8-ol
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Structure
Formula
C19H19N3O2
Molecular Weight
321.38
Canonical SMILES
Oc1c(C(c2ccncc2)N2CCOCC2)ccc2cccnc12
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InChI
InChI=1S/C19H19N3O2/c23-19-16(4-3-14-2-1-7-21-17(14)19)18(15-5-8-20-9-6-15)22-10-12-24-13-11-22/h1-9,18,23H,10-13H2
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InChIKey
CJXASVZSHGHDRG-UHFFFAOYSA-N
Physicochemical Property
logP
2.757
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
58.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 4053883
SID: 121271694
ChEMBL ID
CHEMBL4437705
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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