General Information of the Compound
Compound ID
CP0473329
Compound Name
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
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Structure
Formula
C20H19FN4O4S
Molecular Weight
430.461
Canonical SMILES
Fc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)o1
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InChI
InChI=1S/C20H19FN4O4S/c21-16-8-4-15(5-9-16)19-23-24-20(29-19)22-18(26)14-6-10-17(11-7-14)30(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-13H2,(H,22,24,26)
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InChIKey
SZAZAJZZZUXHLA-UHFFFAOYSA-N
Physicochemical Property
logP
3.3026
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
105.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 2057741
ChEMBL ID
CHEMBL3183661
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: PT06356, Adenylate cyclase type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 16000 nM
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