General Information of the Compound
Compound ID
CP0449822
Compound Name
6-Azido-8-(3-iodo-phenyl)-quinoline
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Synonyms
6-Azido-8-(3-iodo-phenyl)-quinoline
6-azido-8-(3-iodophenyl)quinoline
CHEMBL124575
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Structure
Formula
C15H9IN4
Molecular Weight
372.169
Canonical SMILES
Ic1cccc(c1)-c1cc(cc2cccnc12)N=[N+]=[N-]
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InChI
InChI=1S/C15H9IN4/c16-12-5-1-3-10(7-12)14-9-13(19-20-17)8-11-4-2-6-18-15(11)14/h1-9H
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InChIKey
FZNQYXTXKRWFRF-UHFFFAOYSA-N
Physicochemical Property
logP
5.4482
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
61.65
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 10547238
SID: 15574227
ChEMBL ID
CHEMBL124575
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: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 28 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-Azido-8-(3-iodo-phenyl)-quinoline )
Drug Name 6-Azido-8-(3-iodo-phenyl)-quinoline
Target(s)
Phosphodiesterase 4A (PDE4A)
Inhibitor