General Information of the Compound
Compound ID
CP0384249
Compound Name
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
    Show/Hide
Structure
Formula
C17H14FN3O2
Molecular Weight
311.316
Canonical SMILES
Cc1ccc(cc1C)C(=O)Nc1nnc(o1)-c1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C17H14FN3O2/c1-10-3-4-13(9-11(10)2)15(22)19-17-21-20-16(23-17)12-5-7-14(18)8-6-12/h3-9H,1-2H3,(H,19,21,22)
    Show/Hide
InChIKey
JVRSZIZQCMFLLJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.74484
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
68.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 4456704
ChEMBL ID
CHEMBL4466567
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 = 6500 nM
   TI
   LI
   LO
   TS