General Information of the Compound
Compound ID
CP0521362
Compound Name
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,4-dimethylbenzamide
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Structure
Formula
C17H21N3O2
Molecular Weight
299.374
Canonical SMILES
Cc1ccc(cc1C)C(=O)Nc1nnc(o1)C1CCCCC1
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InChI
InChI=1S/C17H21N3O2/c1-11-8-9-14(10-12(11)2)15(21)18-17-20-19-16(22-17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,18,20,21)
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InChIKey
RVGIUDMDHNOTOE-UHFFFAOYSA-N
Physicochemical Property
logP
3.98644
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: 41709784
ChEMBL ID
CHEMBL4519442
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 = 8100 nM
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Protein ID: PT06357, Adenylate cyclase type 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 44000 nM
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