General Information of the Compound
Compound ID
CP0521368
Compound Name
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
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Structure
Formula
C16H12FN3O3
Molecular Weight
313.288
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(F)cc1
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InChI
InChI=1S/C16H12FN3O3/c1-22-13-8-4-10(5-9-13)14(21)18-16-20-19-15(23-16)11-2-6-12(17)7-3-11/h2-9H,1H3,(H,18,20,21)
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InChIKey
WCBCUAYXAYVFOZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.1366
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
77.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 4296739
ChEMBL ID
CHEMBL4436491
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
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