General Information of the Compound
Compound ID
CP0409977
Compound Name
2-(2-Furyl)-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-4-quinolinecarboxamide
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Structure
Formula
C20H12N4O4
Molecular Weight
372.34
Canonical SMILES
O=C(Nc1nnc(o1)-c1ccco1)c1cc(nc2ccccc12)-c1ccco1
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InChI
InChI=1S/C20H12N4O4/c25-18(22-20-24-23-19(28-20)17-8-4-10-27-17)13-11-15(16-7-3-9-26-16)21-14-6-2-1-5-12(13)14/h1-11H,(H,22,24,25)
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InChIKey
DDJUZGVFWXNTJC-UHFFFAOYSA-N
Physicochemical Property
logP
4.3901
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
107.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 53321048
ChEMBL ID
CHEMBL1687977
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: PT01503, Signal transducer and activator of transcription 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 66000 nM
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