General Information of the Compound
Compound ID
CP0162476
Compound Name
2-(2-pyridinylamino)-8-quinolinol
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Structure
Formula
C14H11N3O
Molecular Weight
237.262
Canonical SMILES
Oc1cccc2ccc(Nc3ccccn3)nc12
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InChI
InChI=1S/C14H11N3O/c18-11-5-3-4-10-7-8-13(17-14(10)11)16-12-6-1-2-9-15-12/h1-9,18H,(H,15,16,17)
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InChIKey
OOARQNZKJHFUSB-UHFFFAOYSA-N
Physicochemical Property
logP
3.079
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
58.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 1380879
SID: 56379893
ChEMBL ID
CHEMBL530049
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 3264.3 nM
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   LI
   LO
   TS
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 ~ 5804.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 8906 nM
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   LI
   LO
   TS