General Information of the Compound
Compound ID
CP0413059
Compound Name
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
    Show/Hide
Structure
Formula
C16H10F3N3O2
Molecular Weight
333.269
Canonical SMILES
FC(F)(F)c1cccc(c1)C(=O)Nc1nnc(o1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-4-7-11(9-12)13(23)20-15-22-21-14(24-15)10-5-2-1-3-6-10/h1-9H,(H,20,22,23)
    Show/Hide
InChIKey
KDUQPXMXHNBKCG-UHFFFAOYSA-N
Physicochemical Property
logP
4.0077
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
68.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 3409080
ChEMBL ID
CHEMBL2098388
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 = 13000 nM
   TI
   LI
   LO
   TS