General Information of the Compound
Compound ID
CP0961688
Compound Name
7-[(2-Methoxy-phenyl)-morpholin-4-yl-methyl]-quinolin-8-ol
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Structure
Formula
C21H22N2O3
Molecular Weight
350.418
Canonical SMILES
COc1ccccc1C(c1ccc2cccnc2c1O)N1CCOCC1
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InChI
InChI=1S/C21H22N2O3/c1-25-18-7-3-2-6-16(18)20(23-11-13-26-14-12-23)17-9-8-15-5-4-10-22-19(15)21(17)24/h2-10,20,24H,11-14H2,1H3
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InChIKey
QOLWXORZZPIODQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3706
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
54.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 51352689
SID: 121271546
ChEMBL ID
CHEMBL4593293
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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   LI
   LO
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