General Information of the Compound
Compound ID
CP0263109
Compound Name
8-aminoquinoline-5,6-dione
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Structure
Formula
C9H6N2O2
Molecular Weight
174.159
Canonical SMILES
NC1=CC(=O)C(=O)c2cccnc12
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InChI
InChI=1S/C9H6N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-4H,10H2
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InChIKey
WIPMQCOMGHCENO-UHFFFAOYSA-N
CAS
49797-49-1
Physicochemical Property
logP
0.1466
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
73.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
13

"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: 279596
SID: 92762393
ChEMBL ID
CHEMBL156174
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 25929 nM
   TI
   LI
   LO
   TS
Protein ID: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 10510 nM
   TI
   LI
   LO
   TS