General Information of the Compound
| Compound ID |
CP0105598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-(4-chlorophenyl)cyclopropyl]-8-[2-(trifluoromethoxy)phenoxy]-[1,2,4]triazolo[4,3-a]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15ClF3N3O2
|
||||||||||||||||||
| Molecular Weight |
445.828
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15ClF3N3O2/c23-15-9-7-14(8-10-15)21(11-12-21)20-28-27-19-18(6-3-13-29(19)20)30-16-4-1-2-5-17(16)31-22(24,25)26/h1-10,13H,11-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBPRFPBKSUICFQ-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