General Information of the Compound
Compound ID
CP0539580
Compound Name
4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
    Show/Hide
Structure
Formula
C14H11N3O3S
Molecular Weight
301.327
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1nnc(o1)-c1cccs1
    Show/Hide
InChI
InChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(20-14)11-3-2-8-21-11/h2-8H,1H3,(H,15,17,18)
    Show/Hide
InChIKey
MLBQCJIJABHDPG-UHFFFAOYSA-N
Physicochemical Property
logP
3.059
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
77.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 4133481
ChEMBL ID
CHEMBL4446465
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 = 15000 nM
   TI
   LI
   LO
   TS