General Information of the Compound
Compound ID
CP0961691
Compound Name
5,7-Bis-morpholin-4-ylmethyl-quinolin-8-ol
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Structure
Formula
C19H25N3O3
Molecular Weight
343.427
Canonical SMILES
Oc1c(CN2CCOCC2)cc(CN2CCOCC2)c2cccnc12
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InChI
InChI=1S/C19H25N3O3/c23-19-16(14-22-6-10-25-11-7-22)12-15(13-21-4-8-24-9-5-21)17-2-1-3-20-18(17)19/h1-3,12,23H,4-11,13-14H2
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InChIKey
KHPPAJXHNDBRGW-UHFFFAOYSA-N
Physicochemical Property
logP
1.6048
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
58.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 3471247
SID: 121271759
ChEMBL ID
CHEMBL4472835
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 > 100000 nM
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