General Information of the Compound
| Compound ID |
CP0485311
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[(2-chlorophenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClN4OS
|
||||||||||||||||||
| Molecular Weight |
386.908
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1OCc1nnc(SC2CCCC2)n1-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClN4OS/c20-16-9-3-4-10-17(16)25-13-18-22-23-19(26-15-7-1-2-8-15)24(18)14-6-5-11-21-12-14/h3-6,9-12,15H,1-2,7-8,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZVVXCHQNHUVBX-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