General Information of the Compound
Compound ID
CP0930910
Compound Name
5-Chloro-7-[(4-chloro-phenyl)-morpholin-4-yl-methyl]-quinolin-8-ol
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Structure
Formula
C20H18Cl2N2O2
Molecular Weight
389.282
Canonical SMILES
Oc1c(C(c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12
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InChI
InChI=1S/C20H18Cl2N2O2/c21-14-5-3-13(4-6-14)19(24-8-10-26-11-9-24)16-12-17(22)15-2-1-7-23-18(15)20(16)25/h1-7,12,19,25H,8-11H2
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InChIKey
DCTAYAHGXNQCJD-UHFFFAOYSA-N
Physicochemical Property
logP
4.6688
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
45.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 3386719
SID: 92725209
ChEMBL ID
CHEMBL4470377
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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