General Information of the Compound
Compound ID
CP0379187
Compound Name
2-(4-Chlorophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-quinolinecarboxamide
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Structure
Formula
C24H15ClN4O2
Molecular Weight
426.863
Canonical SMILES
Clc1ccc(cc1)-c1nnc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)o1
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InChI
InChI=1S/C24H15ClN4O2/c25-17-12-10-16(11-13-17)23-28-29-24(31-23)27-22(30)19-14-21(15-6-2-1-3-7-15)26-20-9-5-4-8-18(19)20/h1-14H,(H,27,29,30)
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InChIKey
FXNWVEHTGKRASK-UHFFFAOYSA-N
Physicochemical Property
logP
5.8575
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
80.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 4219219
ChEMBL ID
CHEMBL1687967
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 = 61000 nM
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