General Information of the Compound
Compound ID
CP0416974
Compound Name
4-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
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Structure
Formula
C13H8BrN3O2S
Molecular Weight
350.197
Canonical SMILES
Brc1ccc(cc1)C(=O)Nc1nnc(o1)-c1cccs1
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InChI
InChI=1S/C13H8BrN3O2S/c14-9-5-3-8(4-6-9)11(18)15-13-17-16-12(19-13)10-2-1-7-20-10/h1-7H,(H,15,17,18)
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InChIKey
LYPFJMICELZLLY-UHFFFAOYSA-N
Physicochemical Property
logP
3.8129
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
68.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 5050383
ChEMBL ID
CHEMBL4471605
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 = 7700 nM
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