General Information of the Compound
| Compound ID |
CP0851556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl)-5-(2-fluoro-4,5-dimethoxyphenyl)-1,3,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13F4N5O4
|
||||||||||||||||||
| Molecular Weight |
451.336
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)c(-c2nnc(-c3cc(OC(F)(F)F)ccc3-n3cncn3)o2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13F4N5O4/c1-29-15-6-11(13(20)7-16(15)30-2)17-26-27-18(31-17)12-5-10(32-19(21,22)23)3-4-14(12)28-9-24-8-25-28/h3-9H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NECWNYWGIXYIIO-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