General Information of the Compound
Compound ID
CP0961689
Compound Name
5-Chloro-7-(morpholin-4-yl-pyridin-2-yl-methyl)-quinolin-8-ol
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Structure
Formula
C19H18ClN3O2
Molecular Weight
355.825
Canonical SMILES
Oc1c(C(c2ccccn2)N2CCOCC2)cc(Cl)c2cccnc12
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InChI
InChI=1S/C19H18ClN3O2/c20-15-12-14(19(24)17-13(15)4-3-7-22-17)18(16-5-1-2-6-21-16)23-8-10-25-11-9-23/h1-7,12,18,24H,8-11H2
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InChIKey
IVBVBQKSDVSGEA-UHFFFAOYSA-N
Physicochemical Property
logP
3.4104
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
58.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 4179039
SID: 121271621
ChEMBL ID
CHEMBL4483425
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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