General Information of the Compound
Compound ID
CP0403075
Compound Name
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-ethylbenzamide
    Show/Hide
Structure
Formula
C17H21N3O2
Molecular Weight
299.374
Canonical SMILES
CCc1ccc(cc1)C(=O)Nc1nnc(o1)C1CCCCC1
    Show/Hide
InChI
InChI=1S/C17H21N3O2/c1-2-12-8-10-13(11-9-12)15(21)18-17-20-19-16(22-17)14-6-4-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,18,20,21)
    Show/Hide
InChIKey
VYWJXDBRSPQELI-UHFFFAOYSA-N
Physicochemical Property
logP
3.932
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
68.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 137370739
ChEMBL ID
CHEMBL4438331
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 = 7300 nM
   TI
   LI
   LO
   TS