General Information of the Compound
Compound ID
CP0905686
Compound Name
7-((1-benzyl-1H-imidazol-2-yl)(morpholino)methyl)quinolin-8-ol
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Structure
Formula
C24H24N4O2
Molecular Weight
400.482
Canonical SMILES
Oc1c(C(c2nccn2Cc2ccccc2)N2CCOCC2)ccc2cccnc12
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InChI
InChI=1S/C24H24N4O2/c29-23-20(9-8-19-7-4-10-25-21(19)23)22(27-13-15-30-16-14-27)24-26-11-12-28(24)17-18-5-2-1-3-6-18/h1-12,22,29H,13-17H2
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InChIKey
XWLSXECKVMROSP-UHFFFAOYSA-N
Physicochemical Property
logP
3.6068
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
63.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 51352691
SID: 121271548
ChEMBL ID
CHEMBL4455925
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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