General Information of the Compound
| Compound ID |
CP0554073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H9F4N3O2
|
||||||||||||||||||
| Molecular Weight |
351.259
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1nnc(NC(=O)c2cccc(c2)C(F)(F)F)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H9F4N3O2/c17-12-6-4-9(5-7-12)14-22-23-15(25-14)21-13(24)10-2-1-3-11(8-10)16(18,19)20/h1-8H,(H,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFCDUJHJWVOHTF-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT06357, Adenylate cyclase type 8