General Information of the Compound
Compound ID
CP0403049
Compound Name
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
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Structure
Formula
C15H9F2N3O2
Molecular Weight
301.252
Canonical SMILES
Fc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(F)cc1
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InChI
InChI=1S/C15H9F2N3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
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InChIKey
FUMHABBIKRABEF-UHFFFAOYSA-N
Physicochemical Property
logP
3.2671
Rotatable Bonds
3
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).

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PubChem ID
CID: 4252177
ChEMBL ID
CHEMBL4528857
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 = 17000 nM
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